1-Heptanol - The NIST WebBook

1-Heptanol

• Formula: C7H16O
• Molecular weight: 116.2013
• IUPAC Standard InChI: InChI=1S/C7H16O/c1-2-3-4-5-6-7-8/h8H,2-7H2,1H3 Copy
• IUPAC Standard InChIKey: BBMCTIGTTCKYKF-UHFFFAOYSA-N Copy
• CAS Registry Number: 111-70-6
• Chemical structure: This structure is also available as a 2d Mol file or as a computed 3d SD file View 3d structure (requires JavaScript / HTML 5)
• Species with the same structure:
  • Heptanol
• Other names: Heptyl alcohol; n-Heptan-1-ol; n-Heptanol; n-Heptyl alcohol; Enanthic alcohol; Gentanol; 1-Hydroxyheptane; n-C7H15OH; Heptan-1-ol; Heptane-1-ol; Heptyl alcohol, n-; n-Heptanol-1; l'Alcool n-heptylique primaire; Alcohol C7; Enanthyl alcohol; 1-Heptyl alcohol; Heptanol-1; NSC 3703; 1-HeptanoI
• Information on this page:
  • Normal alkane RI, non-polar column, isothermal
  • References
  • Notes
• Other data available:
  • 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)
  • Gas Chromatography
• Data at other public NIST sites:
  • Gas Phase Kinetics Database
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Normal alkane RI, non-polar column, isothermal

Go To: Top, 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

Column type	Capillary	Capillary	Capillary	Packed	Packed
Active phase	Polydimethyl siloxane	Polydimethyl siloxane	Polydimethyl siloxane	SE-30	SE-30
Column length (m)	1.	1.
Carrier gas	Argon
Substrate	Chromosorb W AW DMCS (80-100 mesh)
Column diameter (mm)
Phase thickness (μm)
Temperature (C)	105.	75.	90.	100.	100.
I	950.	953.	951.	960.	960.
Reference	Tello, Lebron-Aguilar, et al., 2009	Tello, Lebron-Aguilar, et al., 2009	Tello, Lebron-Aguilar, et al., 2009	Zhou and Wu, 2007	Pias Barbeira and Gasco, 1975
Comment	MSDC-RI	MSDC-RI	MSDC-RI	MSDC-RI	MSDC-RI

References

Go To: Top, Normal alkane RI, non-polar column, isothermal, Notes

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

Tello, Lebron-Aguilar, et al., 2009 Tello, A.M.; Lebron-Aguilar, R.; Quintanilla-Lopez, J.E.; Santiuste, J.M., Isothermal retention indices on poly93-cyanopropylmethyl)siloxane stationary phases, J. Chromatogr. A, 2009, 1216, 10, 1630-1639, https://doi.org/10.1016/j.chroma.2008.10.025 . [all data]

Zhou and Wu, 2007 Zhou, L.; Wu, Q., Model of artificial neural network for quantitative structure-retention relations of saturated alcohols, J. Southwest Univ. (Nat. Sci. Edn.), 2007, 33, 6, 1369-1372. [all data]

Pias Barbeira and Gasco, 1975 Pias Barbeira, J.B.; Gasco, L., Indice de retencion de algunos alcoholes y de sus derivados benzoilados a partir de datos de selectividad, Quimica Analitica, 1975, 29, 6, 354-359. [all data]

Notes

Go To: Top, Normal alkane RI, non-polar column, isothermal, References

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