Propanoic Acid - The NIST WebBook

Propanoic acid

• Formula: C3H6O2
• Molecular weight: 74.0785
• IUPAC Standard InChI: InChI=1S/C3H6O2/c1-2-3(4)5/h2H2,1H3,(H,4,5) Copy
• IUPAC Standard InChIKey: XBDQKXXYIPTUBI-UHFFFAOYSA-N Copy
• CAS Registry Number: 79-09-4
• 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)
• Other names: Propionic acid; Carboxyethane; Ethanecarboxylic acid; Ethylformic acid; Luprisol; Luprosil; Metacetonic acid; Prozoin; Pseudoacetic acid; C2H5COOH; Methylacetic acid; Acide propionique; Kyselina propionova; Propionic acid grain preserver; Sentry grain preserver; Tenox P grain preservative; UN 1848; MonoProp; Antischim B; Propkorn; Propcorn; n-Propionic acid
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• Information on this page:
  • Ion clustering data
  • 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
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  • Gas Phase Kinetics Database
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Ion clustering 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: B - John E. Bartmess RCD - Robert C. Dunbar

Note: Please consider using the reaction search for this species. This page allows searching of all reactions involving this species. Searches may be limited to ion clustering reactions. A general reaction search form is also available.

Clustering reactions

+ = C9H11O2S-

By formula: C6H5S- + C3H6O2 = C9H11O2S-

Quantity	Value	Units	Method	Reference	Comment
ΔrH°	83.7 ± 1.7	kJ/mol	TDAs	Sieck and Meot-ner, 1989	gas phase; B
Quantity	Value	Units	Method	Reference	Comment
ΔrG°	51.9 ± 5.4	kJ/mol	TDAs	Sieck and Meot-ner, 1989	gas phase; B

+ = ( • )

By formula: I- + C3H6O2 = (I- • C3H6O2)

Quantity	Value	Units	Method	Reference	Comment
ΔrH°	69.5 ± 4.2	kJ/mol	TDAs	Caldwell and Kebarle, 1984	gas phase; B
Quantity	Value	Units	Method	Reference	Comment
ΔrG°	43.9 ± 4.2	kJ/mol	TDAs	Caldwell and Kebarle, 1984	gas phase; B

+ = C3H6NO4-

By formula: NO2- + C3H6O2 = C3H6NO4-

Quantity	Value	Units	Method	Reference	Comment
ΔrG°	52.30 ± 0.84	kJ/mol	IMRE	Viidanoja, Reiner, et al., 2000	gas phase; B

+ = C3H6NO5-

By formula: NO3- + C3H6O2 = C3H6NO5-

Quantity	Value	Units	Method	Reference	Comment
ΔrG°	50.21 ± 0.84	kJ/mol	IMRE	Viidanoja, Reiner, et al., 2000	gas phase; B

+ + = C3H8NO6-

By formula: NO3- + H2O + C3H6O2 = C3H8NO6-

Quantity	Value	Units	Method	Reference	Comment
ΔrG°	16.3 ± 0.84	kJ/mol	IMRE	Viidanoja, Reiner, et al., 2000	gas phase; B

+ = ( • )

By formula: Na+ + C3H6O2 = (Na+ • C3H6O2)

Quantity	Value	Units	Method	Reference	Comment
ΔrH°	118. ± 5.9	kJ/mol	CIDT	Moision and Armentrout, 2002	RCD

References

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

Sieck and Meot-ner, 1989 Sieck, L.W.; Meot-ner, M., Ionic Hydrogen Bond and Ion Solvation. 8. RS-..HOR Bond Strengths. Correlation with Acidities., J. Phys. Chem., 1989, 93, 4, 1586, https://doi.org/10.1021/j100341a079 . [all data]

Caldwell and Kebarle, 1984 Caldwell, G.; Kebarle, P., Binding energies and structural effects in halide anion-ROH and -RCOOH complexes from gas phase equilibria measurements, J. Am. Chem. Soc., 1984, 106, 967. [all data]

Viidanoja, Reiner, et al., 2000 Viidanoja, J.; Reiner, T.; Kiendler, A.; Grimm, F.; Arnold, F., Laboratory investigations of negative ion molecule reactions of propionic, butyric, glyoxylic, pyruvic, and pinonic acids, Int. J. Mass Spectrom., 2000, 194, 1, 53-68, https://doi.org/10.1016/S1387-3806(99)00172-4 . [all data]

Moision and Armentrout, 2002 Moision, R.M.; Armentrout, P.B., Experimental and Theoretical Dissection of Sodium Cation/Glycine Interactions, J. Phys. Chem A, 2002, 106, 43, 10350, https://doi.org/10.1021/jp0216373 . [all data]

Notes

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• Symbols used in this document:

  ΔrG°	Free energy of reaction at standard conditions
  ΔrH°	Enthalpy of reaction at standard conditions

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