1-Hexene - The NIST WebBook

1-Hexene

• Formula: C6H12
• Molecular weight: 84.1595
• IUPAC Standard InChI: InChI=1S/C6H12/c1-3-5-6-4-2/h3H,1,4-6H2,2H3 Copy
• IUPAC Standard InChIKey: LIKMAJRDDDTEIG-UHFFFAOYSA-N Copy
• CAS Registry Number: 592-41-6
• Chemical structure: This structure is also available as a 2d Mol file or as a computed 3d SD file The 3d structure may be viewed using Java or Javascript.
• Other names: Hexene-1; 1-n-Hexene; 1-C6H12; Butylethylene; Hexene; Hex-1-ene; UN 2370; Hexylene; Neodene 6 XHP; NSC 74121; Dialene 6
• Permanent link for this species. Use this link for bookmarking this species for future reference.
• Information on this page:
  • Gas phase thermochemistry data
  • Condensed phase thermochemistry data
  • Phase change data
  • Reaction thermochemistry data
  • Henry's Law data
  • Gas phase ion energetics data
  • IR Spectrum
  • Mass spectrum (electron ionization)
  • UV/Visible spectrum
  • Gas Chromatography
  • References
  • Notes
• Data at other public NIST sites:
  • Gas Phase Kinetics Database
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Gas phase thermochemistry data

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Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.

Data compiled as indicated in comments: DRB - Donald R. Burgess, Jr. ALS - Hussein Y. Afeefy, Joel F. Liebman, and Stephen E. Stein

Quantity	Value	Units	Method	Reference	Comment
ΔfH°gas	-42. ± 2.	kJ/mol	AVG	N/A	Average of 10 values; Individual data points

Condensed phase thermochemistry data

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Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.

Data compiled as indicated in comments: DRB - Donald R. Burgess, Jr. ALS - Hussein Y. Afeefy, Joel F. Liebman, and Stephen E. Stein DH - Eugene S. Domalski and Elizabeth D. Hearing

Quantity	Value	Units	Method	Reference	Comment
ΔfH°liquid	-73. ± 3.	kJ/mol	AVG	N/A	Average of 9 values; Individual data points
Quantity	Value	Units	Method	Reference	Comment
S°liquid	295.18	J/mol*K	N/A	McCullough, Finke, et al., 1957	DH

Constant pressure heat capacity of liquid

Cp,liquid (J/mol*K)	Temperature (K)	Reference	Comment
182.77	298.56	Kalinowska and Woycicki, 1985	T = 180 to 300 K. Value is unsmoothed experimental datum.; DH
183.30	298.15	McCullough, Finke, et al., 1957	T = 11 to 360 K.; DH

Phase change data

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Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.

Data compiled as indicated in comments: BS - Robert L. Brown and Stephen E. Stein TRC - Thermodynamics Research Center, NIST Boulder Laboratories, Chris Muzny director AC - William E. Acree, Jr., James S. Chickos ALS - Hussein Y. Afeefy, Joel F. Liebman, and Stephen E. Stein DH - Eugene S. Domalski and Elizabeth D. Hearing

Quantity	Value	Units	Method	Reference	Comment
Tboil	337. ± 2.	K	AVG	N/A	Average of 42 out of 44 values; Individual data points
Quantity	Value	Units	Method	Reference	Comment
Tfus	133. ± 4.	K	AVG	N/A	Average of 9 values; Individual data points
Quantity	Value	Units	Method	Reference	Comment
Ttriple	133.39	K	N/A	McCullough, Finke, et al., 1957, 2	Uncertainty assigned by TRC = 0.01 K; TRC
Ttriple	133.380	K	N/A	Waddington, 1951	Uncertainty assigned by TRC = 0.05 K; TRC
Ttriple	133.390	K	N/A	Waddington, 1951	Uncertainty assigned by TRC = 0.02 K; TRC
Quantity	Value	Units	Method	Reference	Comment
Tc	504.0 ± 0.3	K	N/A	Tsonopoulos and Ambrose, 1996
Tc	503.98	K	N/A	Ambrose, Cox, et al., 1960	Uncertainty assigned by TRC = 0.3 K; Visual, PRT, IPTS-48; TRC
Quantity	Value	Units	Method	Reference	Comment
Pc	32.1 ± 0.3	bar	N/A	Tsonopoulos and Ambrose, 1996
Quantity	Value	Units	Method	Reference	Comment
Vc	0.3551	l/mol	N/A	Tsonopoulos and Ambrose, 1996
Quantity	Value	Units	Method	Reference	Comment
ρc	2.82 ± 0.03	mol/l	N/A	Tsonopoulos and Ambrose, 1996
Quantity	Value	Units	Method	Reference	Comment
ΔvapH°	30.6	kJ/mol	N/A	Reid, 1972	AC
ΔvapH°	30.6	kJ/mol	V	Camin and Rossini, 1956	ALS
ΔvapH°	30.6	kJ/mol	N/A	Camin and Rossini, 1956, 2	Based on data from 289. to 337. K.; AC

Enthalpy of vaporization

ΔvapH (kJ/mol)	Temperature (K)	Method	Reference	Comment
30.4	313.	N/A	Marrufo, Aucejo, et al., 2009	Based on data from 298. to 336. K.; AC
30.6	315.	N/A	Segura, Lam, et al., 2001	Based on data from 300. to 337. K.; AC
31.6	288.	A	Stephenson and Malanowski, 1987	Based on data from 273. to 343. K.; AC
31.0	304.	MM	Forziati, Camin, et al., 1950	Based on data from 289. to 337. K.; AC

Antoine Equation Parameters

log10(P) = A − (B / (T + C)) P = vapor pressure (bar) T = temperature (K)

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Temperature (K)	A	B	C	Reference
289.04 to 337.46	3.99063	1152.971	-47.301	Forziati, Camin, et al., 1950, 2

Enthalpy of fusion

ΔfusH (kJ/mol)	Temperature (K)	Reference	Comment
9.347	133.39	McCullough, Finke, et al., 1957	DH
9.35	133.4	Domalski and Hearing, 1996	AC

Entropy of fusion

ΔfusS (J/mol*K)	Temperature (K)	Reference	Comment
70.07	133.39	McCullough, Finke, et al., 1957	DH

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Reaction thermochemistry data

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Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.

Data compiled as indicated in comments: ALS - Hussein Y. Afeefy, Joel F. Liebman, and Stephen E. Stein MS - José A. Martinho Simões

Note: Please consider using the reaction search for this species. This page allows searching of all reactions involving this species. A general reaction search form is also available. Future versions of this site may rely on reaction search pages in place of the enumerated reaction displays seen below.

Individual Reactions

+ =

By formula: H2 + C6H12 = C6H14

Quantity	Value	Units	Method	Reference	Comment
ΔrH°	-125. ± 3.	kJ/mol	AVG	N/A	Average of 8 values; Individual data points

=

By formula: C6H12 = C6H12

Quantity	Value	Units	Method	Reference	Comment
ΔrH°	-9.77 ± 0.15	kJ/mol	Eqk	Wiberg and Wasserman, 1981	liquid phase; Trifluoroacetolysis; ALS
ΔrH°	-13.7 ± 0.96	kJ/mol	Ciso	Bartolo and Rossini, 1960	liquid phase; Calculated from ΔHc; ALS

=

By formula: C6H12 = C6H12

Quantity	Value	Units	Method	Reference	Comment
ΔrH°	-5.74 ± 0.15	kJ/mol	Eqk	Wiberg and Wasserman, 1981	liquid phase; Trifluoroacetolysis; ALS
ΔrH°	-6.6 ± 1.3	kJ/mol	Ciso	Bartolo and Rossini, 1960	liquid phase; Calculated from ΔHc; ALS

=

By formula: C6H12 = C6H12

Quantity	Value	Units	Method	Reference	Comment
ΔrH°	-7.8 ± 0.2	kJ/mol	Eqk	Wiberg and Wasserman, 1981	liquid phase; Trifluoroacetolysis; ALS
ΔrH°	-11.5 ± 1.0	kJ/mol	Ciso	Bartolo and Rossini, 1960	liquid phase; Calculated from ΔHc; ALS

=

By formula: C6H12 = C6H12

Quantity	Value	Units	Method	Reference	Comment
ΔrH°	-10.9 ± 0.2	kJ/mol	Eqk	Wiberg and Wasserman, 1981	liquid phase; Trifluoroacetolysis; ALS
ΔrH°	-13.1 ± 1.3	kJ/mol	Ciso	Bartolo and Rossini, 1960	liquid phase; Calculated from ΔHc; ALS

= +

By formula: C6H14O = C6H12 + H2O

Quantity	Value	Units	Method	Reference	Comment
ΔrH°	33.8 ± 0.3	kJ/mol	Cm	Wiberg, Wasserman, et al., 1984	liquid phase; Heat of hydration, see Wiberg and Wasserman, 1981; ALS

= +

By formula: C6H14O = C6H12 + H2O

Quantity	Value	Units	Method	Reference	Comment
ΔrH°	32.1 ± 0.3	kJ/mol	Cm	Wiberg, Wasserman, et al., 1984	liquid phase; Heat of hydration, see Wiberg and Wasserman, 1981; ALS

=

By formula: C6H12 = C6H12

Quantity	Value	Units	Method	Reference	Comment
ΔrH°	-17.6 ± 0.92	kJ/mol	Ciso	Bartolo and Rossini, 1960	liquid phase; Calculated from ΔHc; ALS

=

By formula: C6H12 = C6H12

Quantity	Value	Units	Method	Reference	Comment
ΔrH°	-5.8 ± 1.2	kJ/mol	Ciso	Bartolo and Rossini, 1960	liquid phase; Calculated from ΔHc; ALS

=

By formula: C6H12 = C6H12

Quantity	Value	Units	Method	Reference	Comment
ΔrH°	-7.7 ± 1.5	kJ/mol	Ciso	Bartolo and Rossini, 1960	liquid phase; Calculated from ΔHc; ALS

=

By formula: C6H12 = C6H12

Quantity	Value	Units	Method	Reference	Comment
ΔrH°	-26.2 ± 1.1	kJ/mol	Ciso	Bartolo and Rossini, 1960	liquid phase; Calculated from ΔHc; ALS

=

By formula: C6H12 = C6H12

Quantity	Value	Units	Method	Reference	Comment
ΔrH°	-22.0 ± 1.2	kJ/mol	Ciso	Bartolo and Rossini, 1960	liquid phase; Calculated from ΔHc; ALS

=

By formula: C6H12 = C6H12

Quantity	Value	Units	Method	Reference	Comment
ΔrH°	-34.7 ± 0.88	kJ/mol	Ciso	Bartolo and Rossini, 1960	liquid phase; Calculated from ΔHc; ALS

=

By formula: C6H12 = C6H12

Quantity	Value	Units	Method	Reference	Comment
ΔrH°	-14.6 ± 0.75	kJ/mol	Ciso	Bartolo and Rossini, 1960	liquid phase; Calculated from ΔHc; ALS

=

By formula: C6H12 = C6H12

Quantity	Value	Units	Method	Reference	Comment
ΔrH°	-19.2 ± 1.1	kJ/mol	Ciso	Bartolo and Rossini, 1960	liquid phase; Calculated from ΔHc; ALS

=

By formula: C6H12 = C6H12

Quantity	Value	Units	Method	Reference	Comment
ΔrH°	-14.7 ± 1.2	kJ/mol	Ciso	Bartolo and Rossini, 1960	liquid phase; Calculated from ΔHc; ALS

=

By formula: C6H12 = C6H12

Quantity	Value	Units	Method	Reference	Comment
ΔrH°	-23.2 ± 1.4	kJ/mol	Ciso	Bartolo and Rossini, 1960	liquid phase; Calculated from ΔHc; ALS

=

By formula: C6H12 = C6H12

Quantity	Value	Units	Method	Reference	Comment
ΔrH°	-15.9 ± 1.3	kJ/mol	Ciso	Bartolo and Rossini, 1960	liquid phase; Calculated from ΔHc; ALS

=

By formula: C6H12 = C6H12

Quantity	Value	Units	Method	Reference	Comment
ΔrH°	-30.0 ± 1.1	kJ/mol	Ciso	Bartolo and Rossini, 1960	liquid phase; Calculated from ΔHc; ALS

+ =

By formula: C6H12 + H2O = C6H14O

Quantity	Value	Units	Method	Reference	Comment
ΔrH°	-34.5 ± 0.3	kJ/mol	Cm	Wiberg and Wasserman, 1981	liquid phase; solvent: Water; Hydration; ALS

C12H16CrO5 (solution) + (solution) = C11H12CrO5 (solution) + (solution)

By formula: C12H16CrO5 (solution) + C6H12 (solution) = C11H12CrO5 (solution) + C7H16 (solution)

Quantity	Value	Units	Method	Reference	Comment
ΔrH°	-51.0 ± 5.0	kJ/mol	PAC	Yang, Peters, et al., 1986	solvent: Heptane; MS

+ =

By formula: C6H12 + C2HF3O2 = C8H13F3O2

Quantity	Value	Units	Method	Reference	Comment
ΔrH°	-50.5 ± 0.1	kJ/mol	Eqk	Wiberg and Wasserman, 1981	liquid phase; Trifluoroacetolysis; ALS

C10H11ClZr (cr) + (l) = C16H23ClZr (cr)

By formula: C10H11ClZr (cr) + C6H12 (l) = C16H23ClZr (cr)

Quantity	Value	Units	Method	Reference	Comment
ΔrH°	-64.0 ± 4.1	kJ/mol	RSC	Diogo, Simoni, et al., 1993	MS

Henry's Law data

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Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.

Data compiled by: Rolf Sander

Henry's Law constant (water solution)

kH(T) = k°H exp(d(ln(kH))/d(1/T) ((1/T) - 1/(298.15 K))) k°H = Henry's law constant for solubility in water at 298.15 K (mol/(kg*bar)) d(ln(kH))/d(1/T) = Temperature dependence constant (K)

k°H (mol/(kg*bar))	d(ln(kH))/d(1/T) (K)	Method	Reference	Comment
0.0033	Q	N/A	missing citation give several references for the Henry's law constants but don't assign them to specific species.
0.0024	L	N/A
0.0024	V	N/A

Gas phase ion energetics data

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Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.

Data evaluated as indicated in comments: HL - Edward P. Hunter and Sharon G. Lias L - Sharon G. Lias

Data compiled as indicated in comments: LL - Sharon G. Lias and Joel F. Liebman LLK - Sharon G. Lias, Rhoda D. Levin, and Sherif A. Kafafi RDSH - Henry M. Rosenstock, Keith Draxl, Bruce W. Steiner, and John T. Herron

View reactions leading to C6H12+ (ion structure unspecified)

Quantity	Value	Units	Method	Reference	Comment
IE (evaluated)	9.44 ± 0.04	eV	N/A	N/A	L
Quantity	Value	Units	Method	Reference	Comment
Proton affinity (review)	805.2	kJ/mol	N/A	Hunter and Lias, 1998	HL
Quantity	Value	Units	Method	Reference	Comment
Gas basicity	776.3	kJ/mol	N/A	Hunter and Lias, 1998	HL

Ionization energy determinations

IE (eV)	Method	Reference	Comment
9.46 ± 0.05	EI	Holmes and Lossing, 1991	LL
9.37 ± 0.02	PE	Ashmore and Burgess, 1978	LLK
9.44	EI	Lossing and Traeger, 1975	LLK
9.44	EI	Lossing and Traeger, 1975, 2	LLK
9.478 ± 0.003	PE	Masclet, Grosjean, et al., 1973	LLK
9.31	PE	Hoshino, Tajima, et al., 1973	LLK
9.33	EI	Hoshino, Tajima, et al., 1973	LLK
9.46 ± 0.02	PI	Watanabe, Nakayama, et al., 1962	RDSH
9.45 ± 0.02	PI	Steiner, Giese, et al., 1961	RDSH
9.65 ± 0.01	PE	Krause, Taylor, et al., 1978	Vertical value; LLK

Appearance energy determinations

Ion	AE (eV)	Other Products	Method	Reference	Comment
C5H9+	10.02	CH3	EI	Lossing and Traeger, 1975, 2	LLK

IR Spectrum

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Data compiled by: Coblentz Society, Inc.

• GAS (100 mmHg, N2 ADDED, TOTAL PRESSURE 600 mmHg); DOW KBr FOREPRISM-GRATING; DIGITIZED BY COBLENTZ SOCIETY (BATCH II) FROM HARD COPY; 2 cm-1 resolution
• SOLUTION (10% IN CCl4 FOR 3800-1330 AND 10% IN CS2 FOR 1330-400 CM-1) VS. SOLVENT; DOW KBr FOREPRISM-GRATING; DIGITIZED BY NIST FROM HARD COPY (FROM TWO SEGMENTS); 4 cm-1 resolution

Data compiled by: NIST Mass Spectrometry Data Center, William E. Wallace, director

• gas; HP-GC/MS/IRD

Mass spectrum (electron ionization)

Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Phase change data, Reaction thermochemistry data, Henry's Law data, Gas phase ion energetics data, IR Spectrum, UV/Visible spectrum, Gas Chromatography, References, Notes

Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.

Data compiled by: NIST Mass Spectrometry Data Center, William E. Wallace, director

Spectrum

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Additional Data

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Owner	NIST Mass Spectrometry Data Center Collection (C) 2014 copyright by the U.S. Secretary of Commerce on behalf of the United States of America. All rights reserved.
Origin	Japan AIST/NIMC Database- Spectrum MS-NW-9192
NIST MS number	227613

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UV/Visible spectrum

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Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.

Data compiled by: Victor Talrose, Eugeny B. Stern, Antonina A. Goncharova, Natalia A. Messineva, Natalia V. Trusova, Margarita V. Efimkina

Spectrum

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• Flot
• Plugins for Flot:
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  • Labels ( Modified by NIST for use in this application)

Additonal code used was developed at NIST: jcamp-dx.js and jcamp-plot.js.

Use or mention of technologies or programs in this web site is not intended to imply recommendation or endorsement by the National Institute of Standards and Technology, nor is it intended to imply that these items are necessarily the best available for the purpose.

Additional Data

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Source	Jones and Taylor, 1955
Owner	INEP CP RAS, NIST OSRD Collection (C) 2007 copyright by the U.S. Secretary of Commerce on behalf of the United States of America. All rights reserved.
Origin	INSTITUTE OF ENERGY PROBLEMS OF CHEMICAL PHYSICS, RAS
Source reference	RAS UV No. 890
Instrument	Beckman DU
Melting point	-139.7
Boiling point	63.4

Gas Chromatography

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Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.

Data compiled by: NIST Mass Spectrometry Data Center, William E. Wallace, director

Kovats' RI, non-polar column, isothermal

View large format table.

Column type	Active phase	Temperature (C)	I	Reference	Comment
Capillary	Methyl Silicone	30.	589.0	Soják, Addová, et al., 2002	He; Column length: 150. m; Column diameter: 0.250 mm
Capillary	Squalane	30.	581.5	Soják, Addová, et al., 2002	He; Column length: 93. m; Column diameter: 0.250 mm
Packed	C78, Branched paraffin	130.	585.9	Dallos, Sisak, et al., 2000	He; Column length: 3.3 m
Capillary	Squalane	100.	584.	Heinzen, Soares, et al., 1999
Capillary	Squalane	25.	582.	Hilal, Carreira, et al., 1994
Capillary	CP Sil 5 CB	20.	588.96	Do and Raulin, 1992	25. m/0.15 mm/2. μm, H2
Packed	C78, Branched paraffin	130.	587.0	Reddy, Dutoit, et al., 1992	Chromosorb G HP; Column length: 3.3 m
Capillary	BP-1	0.	581.	Skrbic and Cvejanov, 1992	15. m/0.53 mm/1.0 μm, N2
Packed	Apolane	130.	588.	Dutoit, 1991	Column length: 3.7 m
Capillary	PoraPLOT Q	100.	592.	Do and Raulin, 1989	10. m/0.32 mm/10. μm, H2
Capillary	PoraPLOT Q	160.	590.	Do and Raulin, 1989	10. m/0.32 mm/10. μm, H2
Capillary	OV-101	40.	588.	Laub and Purnell, 1988
Capillary	OV-101	60.	589.	Laub and Purnell, 1988
Capillary	OV-101	80.	589.	Laub and Purnell, 1988
Capillary	Squalane	50.	583.0	Papazova, Milina, et al., 1988	Column length: 50. m; Column diameter: 0.25 mm
Capillary	OV-101	50.	589.4	Boneva and Dimov, 1986	100. m/0.27 mm/0.9 μm, N2
Capillary	OV-101	70.	590.	Boneva and Dimov, 1986	100. m/0.27 mm/0.9 μm, N2
Capillary	Squalane	50.	582.5	Boneva and Dimov, 1986	N2; Column length: 100. m; Column diameter: 0.25 mm
Capillary	Squalane	70.	583.	Boneva and Dimov, 1986	N2; Column length: 100. m; Column diameter: 0.25 mm
Capillary	OV-1	100.	588.9	Anders, Anders, et al., 1985	55. m/0.21 mm/0.35 μm, N2
Packed	SE-30	42.	598.	Rudenko, Mal'tsev, et al., 1985	Column length: 3. m
Capillary	DB-1	40.	589.	Lubeck and Sutton, 1984	60. m/0.264 mm/0.25 μm, H2
Capillary	HP-PONA	40.	589.	Lubeck and Sutton, 1984	50. m/0.21 mm/0.5 μm, H2
Packed	SE-30	150.	590.	Tiess, 1984	Ar, Gas Chrom Q (80-100 mesh); Column length: 3. m
Capillary	OV-101	30.	588.	Chien, Furio, et al., 1983
Capillary	OV-101	40.	588.	Chien, Furio, et al., 1983
Capillary	OV-101	50.	588.	Chien, Furio, et al., 1983
Capillary	OV-101	60.	589.	Chien, Furio, et al., 1983
Capillary	OV-101	70.	589.	Chien, Furio, et al., 1983
Capillary	OV-101	80.	589.	Chien, Furio, et al., 1983
Capillary	OV-3	30.	594.0	Chien, Furio, et al., 1983, 2
Capillary	OV-3	40.	594.1	Chien, Furio, et al., 1983, 2
Capillary	OV-3	50.	594.3	Chien, Furio, et al., 1983, 2
Capillary	OV-3	60.	594.4	Chien, Furio, et al., 1983, 2
Capillary	OV-3	70.	594.6	Chien, Furio, et al., 1983, 2
Capillary	OV-3	80.	594.8	Chien, Furio, et al., 1983, 2
Capillary	SE-30	130.	593.	Bredael, 1982	Column length: 100. m; Column diameter: 0.5 mm
Capillary	SE-30	80.	589.	Bredael, 1982	Column length: 100. m; Column diameter: 0.5 mm
Packed	Apiezon L	70.	587.	Jaworski, 1982	Column length: 1.8 m
Capillary	OV-1	30.	589.1	Chien, Kopecni, et al., 1981	H2
Capillary	OV-1	40.	589.4	Chien, Kopecni, et al., 1981	H2
Capillary	OV-1	50.	589.7	Chien, Kopecni, et al., 1981	H2
Capillary	OV-1	60.	590.	Chien, Kopecni, et al., 1981	H2
Capillary	OV-1	70.	590.4	Chien, Kopecni, et al., 1981	H2
Capillary	OV-1	80.	590.	Chien, Kopecni, et al., 1981	H2
Capillary	SE-30	30.	583.5	Chien, Kopecni, et al., 1981	H2
Capillary	SE-30	40.	584.5	Chien, Kopecni, et al., 1981	H2
Capillary	SE-30	50.	585.2	Chien, Kopecni, et al., 1981	H2
Capillary	SE-30	60.	586.2	Chien, Kopecni, et al., 1981	H2
Capillary	SE-30	70.	587.1	Chien, Kopecni, et al., 1981	H2
Capillary	SE-30	80.	588.2	Chien, Kopecni, et al., 1981	H2
Capillary	Squalane	50.	582.	Mitra, 1981	N2; Column length: 100. m; Column diameter: 0.25 mm
Capillary	Squalane	50.	582.	Mitra, 1981	N2; Column length: 100. m; Column diameter: 0.25 mm
Capillary	OV-1	40.	596.	Nijs and Jacobs, 1981	He; Column length: 150. m; Column diameter: 0.50 mm
Capillary	Squalane	50.	582.1	Bajus, Veselý, et al., 1979	Column length: 100. m; Column diameter: 0.25 mm
Capillary	Squalane	70.	582.5	Bajus, Veselý, et al., 1979	Column length: 100. m; Column diameter: 0.25 mm
Capillary	Squalane	50.	582.36	Pacáková and Koslík, 1978	50. m/0.2 mm/0.5 μm, N2
Packed	Squalane	80.	583.	Chrétien and Dubois, 1977
Capillary	Squalane	50.	582.	Chretien and Dubois, 1976
Capillary	Squalane	100.	584.	Lulova, Leont'eva, et al., 1976	He; Column length: 120. m; Column diameter: 0.25 mm
Packed	Apolane	70.	584.5	Riedo, Fritz, et al., 1976	He, Chromosorb; Column length: 2.4 m
Capillary	Squalane	50.	582.	Rijks, van den Berg, et al., 1974
Capillary	Squalane	50.	582.	Rijks, van den Berg, et al., 1974
Capillary	Squalane	70.	583.	Rijks, van den Berg, et al., 1974
Capillary	Squalane	70.	583.	Rijks, van den Berg, et al., 1974
Capillary	Squalane	50.	582.	Rijks and Cramers, 1974	N2; Column length: 100. m; Column diameter: 0.25 mm
Capillary	Squalane	70.	583.	Rijks and Cramers, 1974	N2; Column length: 100. m; Column diameter: 0.25 mm
Capillary	OV-101	50.	589.	Pacáková, Hoch, et al., 1973	25. m/0.25 mm/1.39 μm, N2
Capillary	OV-101	60.	589.	Pacáková, Hoch, et al., 1973	25. m/0.25 mm/1.39 μm, N2
Capillary	Squalane	27.	581.38	Schomburg and Dielmann, 1973	Column length: 100. m; Column diameter: 0.25 mm
Capillary	Squalane	100.	586.9	Schomburg and Dielmann, 1973	Column length: 100. m; Column diameter: 0.25 mm
Capillary	Squalane	100.	584.	Sojak, Hrivnak, et al., 1973
Capillary	Squalane	115.	584.	Sojak, Hrivnak, et al., 1973
Capillary	Squalane	86.	583.	Sojak, Hrivnak, et al., 1973
Capillary	Apiezon L	100.	589.6	Eisen, Orav, et al., 1972	Column length: 45. m; Column diameter: 0.25 mm
Capillary	Squalane	50.	582.3	Eisen, Orav, et al., 1972	Column length: 80. m; Column diameter: 0.25 mm
Capillary	Squalane	60.	582.	Orav and Eisen, 1972	Column length: 80. m; Column diameter: 0.25 mm
Packed	SE-30	75.	589.	Robinson and Odell, 1971	N2, Chromosorb W; Column length: 6.1 m
Packed	Squalane	100.	580.	Robinson and Odell, 1971	N2, Embacel; Column length: 3.0 m
Packed	Apiezon L	100.	596.	Wagaman and Smith, 1971	CH4; Column length: 3. m
Capillary	Squalane	115.	584.0	Soják and Bucinská, 1970	N2; Column length: 200. m; Column diameter: 0.2 mm
Capillary	Squalane	86.	583.1	Soják and Bucinská, 1970	N2; Column length: 200. m; Column diameter: 0.2 mm
Capillary	Squalane	40.	583.	Matukuma, 1969	N2; Column length: 91.4 m; Column diameter: 0.25 mm
Packed	Apiezon L	100.	588.	Brown, Chapman, et al., 1968	N2, DCMS-treated Chromosorb W; Column length: 2.3 m
Packed	Apiezon L	150.	596.	Brown, Chapman, et al., 1968	N2, DCMS-treated Chromosorb W; Column length: 2.3 m
Packed	Squalane	27.	582.	Hively and Hinton, 1968	He, Chromosorb P; Column length: 15. m; Column diameter: 0.25 mm
Packed	Squalane	49.	583.	Hively and Hinton, 1968	He, Chromosorb P; Column length: 15. m; Column diameter: 0.25 mm
Packed	Squalane	67.	584.	Hively and Hinton, 1968	He, Chromosorb P; Column length: 15. m; Column diameter: 0.25 mm
Packed	Squalane	86.	584.	Hively and Hinton, 1968	He, Chromosorb P; Column length: 15. m; Column diameter: 0.25 mm
Packed	SE-30	70.	593.	Widmer, 1967	Diatoport S; Column length: 7.9 m
Packed	Squalane	26.	583.	Zulaïca and Guiochon, 1966	Column length: 10. m
Packed	Apiezon L	130.	583.	Wehrli and Kováts, 1959	Celite; Column length: 2.25 m
Packed	Apiezon L	70.	587.	Wehrli and Kováts, 1959	Celite; Column length: 2.25 m

Kovats' RI, non-polar column, temperature ramp

View large format table.

Column type	Active phase	I	Reference	Comment
Capillary	SE-54	586.	Rembold, Wallner, et al., 1989	30. m/0.25 mm/0.25 μm, He, 0. C @ 12. min, 12. K/min; Tend: 250. C
Capillary	OV-101	585.	Hayes and Pitzer, 1982	110. m/0.25 mm/0.20 μm, He, 1. K/min; Tstart: 35. C; Tend: 200. C

Kovats' RI, non-polar column, custom temperature program

View large format table.

Column type	Active phase	I	Reference	Comment
Capillary	Petrocol DH-100	591.2	Haagen-Smit Laboratory, 1997	He; Column length: 100. m; Column diameter: 0.2 mm; Program: 5C(10min) => 5C/min => 50C(48min) => 1.5C/min => 195C(91min)
Capillary	DB-1	590.	Hoekman, 1993	60. m/0.32 mm/1.0 μm, He; Program: -40 C for 12 min; -40 - 125 C at 3 deg.min; 125-185 C at 6 deg/min; 185 - 220 C at 20 deg/min; hold 220 C for 2 min

Kovats' RI, polar column, isothermal

View large format table.

Column type	Active phase	Temperature (C)	I	Reference	Comment
Capillary	PEG 4000	50.	648.	Rang, Orav, et al., 1988
Capillary	PEG 4000	60.	649.	Rang, Orav, et al., 1988
Capillary	Polyethylene Glycol 4000	50.	648.5	Eisen, Orav, et al., 1972	Column length: 80. m; Column diameter: 0.25 mm
Capillary	Polyethylene Glycol 4000	60.	648.7	Eisen, Orav, et al., 1972	Column length: 80. m; Column diameter: 0.25 mm
Capillary	PEG 4000	60.	648.7	Orav and Eisen, 1972	Column length: 80. m; Column diameter: 0.25 mm
Capillary	PEG 4000	50.	648.5	Orav and Eisen, 1972	Column length: 80. m; Column diameter: 0.25 mm
Packed	Carbowax 20M	130.	632.	Widmer, 1967	Diatoport P; Column length: 7.9 m
Packed	Carbowax 20M	70.	622.	Widmer, 1967	Diatoport P; Column length: 7.9 m

Van Den Dool and Kratz RI, non-polar column, temperature ramp

View large format table.

Column type	Active phase	I	Reference	Comment
Capillary	SPB-5	589.	Engel and Ratel, 2007	60. m/0.32 mm/1. μm, 40. C @ 2. min, 3. K/min, 230. C @ 10. min
Capillary	DB-5	588.2	Song, Lai, et al., 2003	30. m/0.25 mm/0.25 μm, He, 2. K/min; Tstart: 40. C; Tend: 310. C
Capillary	DB-5	587.9	Song, Lai, et al., 2003	30. m/0.25 mm/0.25 μm, He, 4. K/min; Tstart: 40. C; Tend: 310. C
Capillary	DB-5	587.9	Song, Lai, et al., 2003	30. m/0.25 mm/0.25 μm, He, 6. K/min; Tstart: 40. C; Tend: 310. C
Capillary	DB-5	584.2	Xu, van Stee, et al., 2003	30. m/0.25 mm/1. μm, He, 2.5 K/min; Tstart: 50. C; Tend: 200. C
Capillary	Methyl Silicone	588.4	Soják, Addová, et al., 2002	He, 1. K/min; Column length: 150. m; Column diameter: 0.250 mm; Tstart: 30. C; Tend: 200. C
Capillary	DB-5	588.2	Lai and Song, 1995	30. m/0.25 mm/0.25 μm, He, 2. K/min; Tstart: 40. C; Tend: 310. C
Capillary	DB-5	587.9	Lai and Song, 1995	30. m/0.25 mm/0.25 μm, He, 4. K/min; Tstart: 40. C; Tend: 310. C
Capillary	DB-5	587.9	Lai and Song, 1995	30. m/0.25 mm/0.25 μm, He, 6. K/min; Tstart: 40. C; Tend: 310. C
Capillary	Petrocol DH	584.67	White, Douglas, et al., 1992	100. m/0.25 mm/0.5 μm, He, 1. K/min; Tstart: 30. C; Tend: 220. C
Capillary	Petrocol DH	584.79	White, Douglas, et al., 1992	100. m/0.25 mm/0.5 μm, He, 1. K/min; Tstart: 30. C; Tend: 220. C
Capillary	Petrocol DH	585.	White, Hackett, et al., 1992	100. m/0.25 mm/0.5 μm, He, 1. K/min; Tstart: 30. C; Tend: 220. C
Capillary	OV-101	585.	Hayes and Pitzer, 1981	108. m/0.25 mm/0.2 μm, 1. K/min; Tstart: 35. C; Tend: 200. C
Capillary	Chromosorb 101	596.	Voorhees, Hileman, et al., 1975	10. K/min; Tstart: 0. C; Tend: 220. C

Van Den Dool and Kratz RI, non-polar column, custom temperature program

View large format table.

Column type	Active phase	I	Reference	Comment
Capillary	DB-5	590.	Zaikin and Borisov, 2002	He; Column length: 30. m; Column diameter: 0.25 mm; Program: 30C => 5K/min=120C => 10C/min => 270C
Capillary	Methyl Silicone	584.00	Hassoun, Pilling, et al., 1999	50. m/0.25 mm/1. μm, He; Program: -50C(2min) => 49.9C/min => 35C(10min) => 3C/min => 200C(2min) => 40C/min => 240C(30min)
Capillary	Methyl Silicone	596.84	Hassoun, Pilling, et al., 1999	50. m/0.25 mm/1. μm, He; Program: -50C(2min) => 49.9C/min => 35C(10min) => 3C/min => 200C(2min) => 40C/min => 240C(30min)

Normal alkane RI, non-polar column, isothermal

View large format table.

Column type	Active phase	Temperature (C)	I	Reference	Comment
Capillary	Squalane	40.	581.5	Sojak, Addova, et al., 2000	He; Column length: 93. m; Column diameter: 0.25 mm
Capillary	SE-54	50.	592.	Xieyun, Maoqi, et al., 1996	N2; Column length: 40. m; Column diameter: 0.25 mm
Capillary	Squalane	70.	582.	Schomburg, 1966
Packed	Methyl Silicone	50.	600.	Huguet, 1961	Nitrogen, Celite C-22; Column length: 2.5 m

Normal alkane RI, non-polar column, temperature ramp

View large format table.

Column type	Active phase	I	Reference	Comment
Capillary	Polydimethyl siloxane: CP-Sil 5 CB	589.	Bramston-Cook, 2013	60. m/0.25 mm/1.0 μm, Helium, 45. C @ 1.45 min, 3.6 K/min, 210. C @ 2.72 min
Capillary	Petrocol DH	589.	Supelco, 2012	100. m/0.25 mm/0.50 μm, Helium, 20. C @ 15. min, 15. K/min, 220. C @ 30. min
Capillary	Ultra-ALLOY-5	583.	Tsuge, Ohtan, et al., 2011	30. m/0.25 mm/0.25 μm, 40. C @ 2. min, 20. K/min, 320. C @ 13. min
Capillary	Ultra-ALLOY-5	585.	Tsuge, Ohtan, et al., 2011	30. m/0.25 mm/0.25 μm, 40. C @ 2. min, 20. K/min, 320. C @ 13. min
Capillary	Ultra-ALLOY-5	585.	Tsuge, Ohtan, et al., 2011	30. m/0.25 mm/0.25 μm, 40. C @ 2. min, 20. K/min, 320. C @ 13. min
Capillary	Ultra-ALLOY-5	592.	Tsuge, Ohtan, et al., 2011	30. m/0.25 mm/0.25 μm, 40. C @ 2. min, 20. K/min, 320. C @ 13. min
Capillary	Ultra-ALLOY-5	593.	Tsuge, Ohtan, et al., 2011	30. m/0.25 mm/0.25 μm, 40. C @ 2. min, 20. K/min, 320. C @ 13. min
Capillary	PONA	585.	Zhang, Ding, et al., 2009	50. m/0.20 mm/0.50 μm, Nitrogen, 35. C @ 15. min, 2. K/min, 200. C @ 10. min
Capillary	Petrocol DH	585.	Sojak, Kubinec, et al., 2006	150. m/0.25 mm/1.0 μm, 1. K/min; Tstart: 40. C; Tend: 300. C
Capillary	DB-5MS	584.7	Shoenmakers, Oomen, et al., 2000	30. m/0.25 mm/0.25 μm, He, 40. C @ 1. min, 3. K/min; Tend: 250. C
Capillary	Methyl Silicone	585.32	Baraldi, Rapparini, et al., 1999	60. m/0.25 mm/0.25 μm, 40. C @ 10. min, 5. K/min; Tend: 220. C
Capillary	OV-101	589.	Orav, Kailas, et al., 1999	50. m/0.20 mm/0.50 μm, Helium, 30. C @ 6. min, 1. K/min; Tend: 100. C
Capillary	OV-101	587.	Chupalov and Zenkevich, 1996	N2, 3. K/min; Column length: 52. m; Column diameter: 0.26 mm; Tstart: 50. C; Tend: 220. C
Capillary	SE-54	584.	Guan, Li, et al., 1995	60. C @ 2. min, 4. K/min; Column length: 50. m; Column diameter: 0.32 mm; Tend: 200. C
Capillary	HP-5	590.	Larsen and Frisvad, 1995	35. C @ 2. min, 6. K/min; Tend: 200. C
Capillary	HP-5	591.	Larsen and Frisvad, 1995, 2	35. C @ 2. min, 6. K/min; Tend: 200. C
Capillary	DB-1	588.	Ramnas, Ostermark, et al., 1994	50. m/0.32 mm/1.0 μm, He, 2. K/min; Tstart: -20. C
Capillary	DB-1	585.	Ciccioli, Cecinato, et al., 1992	60. m/0.32 mm/1.2 μm, He, 30. C @ 10. min, 3. K/min; Tend: 240. C
Capillary	OV-101	590.	Sugisawa, Nakamura, et al., 1990	Nitrogen, 2. K/min; Column length: 50. m; Column diameter: 0.25 mm; Tstart: 70. C; Tend: 200. C
Capillary	OV-101	592.	Sugisawa, Nakamura, et al., 1990	Nitrogen, 2. K/min; Column length: 50. m; Column diameter: 0.25 mm; Tstart: 80. C; Tend: 200. C
Capillary	SP-2100	584.	Alencar, Alves, et al., 1983	He, 4. K/min; Column length: 30. m; Column diameter: 0.25 mm; Tstart: 40. C; Tend: 250. C

Normal alkane RI, non-polar column, custom temperature program

View large format table.

Column type	Active phase	I	Reference	Comment
Capillary	Methyl Silicone	584.	Chen and Feng, 2007	Program: not specified
Capillary	Methyl Silicone	589.	Blunden, Aneja, et al., 2005	60. m/0.32 mm/1.0 μm, Helium; Program: -50 0C (2 min) 8 0C/min -> 200 0C (7.75 min) 25 0C -> 225 0C (8 min)
Capillary	Polydimethyl siloxane	584.	Junkes, Castanho, et al., 2003	Program: not specified
Capillary	PONA	591.	Perkin Elmer Instruments, 2002	Column length: 100. m; Phase thickness: 0.50 μm; Program: not specified
Capillary	Methyl Silicone	583.	N/A	Program: not specified
Capillary	DB-5 MS	601.	Luo and Agnew, 2001	30. m/0.25 mm/1.0 μm, Helium; Program: not specified
Capillary	Methyl Silicone	588.	Zenkevich and Marinichev, 2001	Program: not specified
Capillary	DB-1	589.	Zhu and Wang, 2001	Program: not specified
Capillary	Methyl Silicone	588.	Zenkevich, 2000	Program: not specified
Capillary	Methyl Silicone	590.	Spieksma, 1999	Program: not specified
Capillary	SPB-1	587.	Flanagan, Streete, et al., 1997	60. m/0.53 mm/5. μm, He; Program: 40C(6min) => 5C/min => 80C => 10C/min => 200C
Capillary	DB-1	584.	Ciccioli, Cecinato, et al., 1994	60. m/0.32 mm/0.25 μm; Program: not specified
Capillary	DB-1	584.	Ciccioli, Brancaleoni, et al., 1993	60. m/0.32 mm/0.25 μm; Program: 3 min at 5 C; 5 - 50 C at 3 deg/min; 50 - 220 C at 5 deg/min
Capillary	SPB-1	587.	Strete, Ruprah, et al., 1992	60. m/0.53 mm/5.0 μm, Helium; Program: 40 0C (6 min) 5 0C/min -> 80 0C 10 0C/min -> 200 0C
Capillary	OV-1, SE-30, Methyl silicone, SP-2100, OV-101, DB-1, etc.	585.	Waggott and Davies, 1984	Hydrogen; Column length: 50. m; Column diameter: 0.32 mm; Program: not specified
Packed	SE-30	592.	Robinson and Odell, 1971	N2, Chromosorb W; Column length: 6.1 m; Program: 50C910min) => 20C/min => 90(6min) => 10C/min => 150C(hold)
Packed	Squalane	582.	Robinson and Odell, 1971	N2, Embacel; Column length: 3.0 m; Program: 25C(5min) => 2C/min => 35 => 4C/min => 95C(hold)
Packed	SE-30	592.	Robinson and Odell, 1971, 2	Chrom W; Column length: 6.1 m; Program: 50C(10min) => 20C/min(2min) => 90C(6min) => 10C/min(6min) => (hold at 150C)
Packed	Squalane	582.	Robinson and Odell, 1971, 2	Embacel; Column length: 3.0 m; Program: 25C(5min) => 2C/min(5min) => 4C/min(15min) => (hold at 95C)

Normal alkane RI, polar column, temperature ramp

View large format table.

Column type	Active phase	I	Reference	Comment
Capillary	TC-Wax	674.	Shuichi, Masazumi, et al., 1996	80. C @ 5. min, 3. K/min; Column length: 60. m; Column diameter: 0.25 mm; Tend: 240. C

Normal alkane RI, polar column, custom temperature program

View large format table.

Column type	Active phase	I	Reference	Comment
Capillary	CP-Wax 52CB	610.	Muresan, Eillebrecht, et al., 2000	50. m/0.32 mm/1.2 μm; Program: 40C(10min) => 3C/min => 190C => 10C/min => 250C(5min)

References

Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Phase change data, Reaction thermochemistry data, Henry's Law data, Gas phase ion energetics data, IR Spectrum, Mass spectrum (electron ionization), UV/Visible spectrum, Gas Chromatography, Notes

Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.

McCullough, Finke, et al., 1957 McCullough, J.P.; Finke, H.L.; Gross, M.E.; Messerly, J.F.; Waddington, G., Low temperature calorimetric studies of seven 1-olefins: effect of orientational disorder in the solid state, J. Phys. Chem., 1957, 61, 289-301. [all data]

Kalinowska and Woycicki, 1985 Kalinowska, B.; Woycicki, W., Heat capacities and excess heat capacities of (an alcohol + an unsaturated hydrocarbon). 1. (Propan-1-ol + n-hex-1-ene), J. Chem. Thermodynam., 1985, 17, 829-834. [all data]

McCullough, Finke, et al., 1957, 2 McCullough, J.P.; Finke, H.L.; Gross, M.E.; Messerly, J.F.; Waddington, G., Low temperature calorimetric studies of seven 1-olefins: effect of orientational disorder in the solid state, J. Phys. Chem., 1957, 61, 289. [all data]

Waddington, 1951 Waddington, G., Personal Commun., U. S. Bur. Mines, Bartlesville, OK, 1951. [all data]

Tsonopoulos and Ambrose, 1996 Tsonopoulos, C.; Ambrose, D., Vapor-Liquid Critical Properties of Elements and Compounds. 6. Unsaturated Aliphatic Hydrocarbons, J. Chem. Eng. Data, 1996, 41, 645-656. [all data]

Ambrose, Cox, et al., 1960 Ambrose, D.; Cox, J.D.; Townsend, R., The critical temperatures of forty organic compounds, Trans. Faraday Soc., 1960, 56, 1452. [all data]

Reid, 1972 Reid, Robert C., Handbook on vapor pressure and heats of vaporization of hydrocarbons and related compounds, R. C. Wilhort and B. J. Zwolinski, Texas A Research Foundation. College Station, Texas(1971). 329 pages.$10.00, AIChE J., 1972, 18, 6, 1278-1278, https://doi.org/10.1002/aic.690180637 . [all data]

Camin and Rossini, 1956 Camin, D.L.; Rossini, F.D., Physical properties of the 17 isomeric hexenes of the API research series, J. Phys. Chem., 1956, 60, 1446. [all data]

Camin and Rossini, 1956, 2 Camin, David L.; Rossini, Frederick D., Physical Properties of the 17 Isomeric Hexenes.of the API Research Series, J. Phys. Chem., 1956, 60, 10, 1446-1451, https://doi.org/10.1021/j150544a029 . [all data]

Marrufo, Aucejo, et al., 2009 Marrufo, Beatriz; Aucejo, Antonio; Sanchotello, Margarita; Loras, Sonia, Isobaric vapor--liquid equilibrium for binary mixtures of 1-hexene+n-hexane and cyclohexane+cyclohexene at 30, 60 and 101.3kPa, Fluid Phase Equilibria, 2009, 279, 1, 11-16, https://doi.org/10.1016/j.fluid.2008.12.007 . [all data]

Segura, Lam, et al., 2001 Segura, Hugo; Lam, Elizabeth; Reich, Ricardo; Wisniak, Jaime, Isobaric Phase Equilibria in the Binary Systems Ethyl 1,1-Dimethylethyl Ether + 1-hexene and + Cyclohexene at 94.00 kPa, Physics and Chemistry of Liquids, 2001, 39, 1, 43-54, https://doi.org/10.1080/00319100108030325 . [all data]

Stephenson and Malanowski, 1987 Stephenson, Richard M.; Malanowski, Stanislaw, Handbook of the Thermodynamics of Organic Compounds, 1987, https://doi.org/10.1007/978-94-009-3173-2 . [all data]

Forziati, Camin, et al., 1950 Forziati, A.F.; Camin, D.L.; Rossini, F.D., Density, refractive index, boiling point, and vapor pressure of eight monoolefin (1-alkene), six pentadiene, and two cyclomonoolefin hydrocarbons, J. RES. NATL. BUR. STAN., 1950, 45, 5, 406, https://doi.org/10.6028/jres.045.044 . [all data]

Forziati, Camin, et al., 1950, 2 Forziati, a.F.; Camin, D.L.; Rossini, F.D., Density, refractive index, boiling point, and vapor pressure of eight monoolefin (1-alkene), six pentadiene, and two cyclomonoolefin hydrocarbons, J. Res. NBS, 1950, 45, 406-410. [all data]

Domalski and Hearing, 1996 Domalski, Eugene S.; Hearing, Elizabeth D., Heat Capacities and Entropies of Organic Compounds in the Condensed Phase. Volume III, J. Phys. Chem. Ref. Data, 1996, 25, 1, 1, https://doi.org/10.1063/1.555985 . [all data]

Wiberg and Wasserman, 1981 Wiberg, K.B.; Wasserman, D.J., Enthalpies of hydration of alkenes. 1. The n-hexenes, J. Am. Chem. Soc., 1981, 103, 6563-6566. [all data]

Bartolo and Rossini, 1960 Bartolo, H.F.; Rossini, F.D., Heats of isomerization of the seventeen isomeric hexenes, J. Phys. Chem., 1960, 64, 1685-1689. [all data]

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Notes

Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Phase change data, Reaction thermochemistry data, Henry's Law data, Gas phase ion energetics data, IR Spectrum, Mass spectrum (electron ionization), UV/Visible spectrum, Gas Chromatography, References

• Symbols used in this document:

  AE	Appearance energy
  Cp,liquid	Constant pressure heat capacity of liquid
  IE (evaluated)	Recommended ionization energy
  Pc	Critical pressure
  S°liquid	Entropy of liquid at standard conditions
  Tboil	Boiling point
  Tc	Critical temperature
  Tfus	Fusion (melting) point
  Ttriple	Triple point temperature
  Vc	Critical volume
  d(ln(kH))/d(1/T)	Temperature dependence parameter for Henry's Law constant
  k°H	Henry's Law constant at 298.15K
  ΔfH°gas	Enthalpy of formation of gas at standard conditions
  ΔfH°liquid	Enthalpy of formation of liquid at standard conditions
  ΔfusH	Enthalpy of fusion
  ΔfusS	Entropy of fusion
  ΔrH°	Enthalpy of reaction at standard conditions
  ΔvapH	Enthalpy of vaporization
  ΔvapH°	Enthalpy of vaporization at standard conditions
  ρc	Critical density

• Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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