2-Propenoic acid
- Formula: C3H4O2
- Molecular weight: 72.0627
- IUPAC Standard InChIKey: NIXOWILDQLNWCW-UHFFFAOYSA-N
- CAS Registry Number: 79-10-7
- 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: Acrylic acid; Acroleic acid; Ethylenecarboxylic acid; Propenoic acid; Vinylformic acid; CH2=CHCOOH; Propene acid; Kyselina akrylova; Rcra waste number U008; Glacial acrylic acid; NSC 4765
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Gas phase thermochemistry data
Go To: Top, IR Spectrum, Mass spectrum (electron ionization), References, Notes
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
DRB - Donald R. Burgess, Jr.
GT - Glushko Thermocenter, Russian Academy of Sciences, Moscow
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔfH°gas | -79.0 ± 1.0 | kcal/mol | Ccb | Van-chin-syan, Kochubei, et al., 1996 | ALS |
ΔfH°gas | -77.61 | kcal/mol | N/A | Vilcu and Perisanu, 1980 | Value computed using ΔfHliquid° value of -377.8±9.3 kj/mol from Vilcu and Perisanu, 1980 and ΔvapH° value of 53.1 kj/mol from Van-chin-syan, Kochubei, et al., 1996.; DRB |
ΔfH°gas | -80.51 ± 0.55 | kcal/mol | Eqk | Guthrie, 1978 | ALS |
Constant pressure heat capacity of gas
Cp,gas (cal/mol*K) | Temperature (K) | Reference | Comment |
---|---|---|---|
9.806 | 50. | Thermodynamics Research Center, 1997 | p=1 bar.; GT |
10.85 | 100. | ||
12.51 | 150. | ||
14.70 | 200. | ||
18.31 | 273.15 | ||
19.55 | 298.15 | ||
19.64 | 300. | ||
24.197 | 400. | ||
27.880 | 500. | ||
30.767 | 600. | ||
33.059 | 700. | ||
34.924 | 800. | ||
36.472 | 900. | ||
37.782 | 1000. | ||
38.91 | 1100. | ||
39.87 | 1200. | ||
40.68 | 1300. | ||
41.40 | 1400. | ||
42.02 | 1500. |
IR Spectrum
Go To: Top, Gas phase thermochemistry data, Mass spectrum (electron ionization), References, Notes
Data compiled by: Coblentz Society, Inc.
Data compiled by: NIST Mass Spectrometry Data Center, William E. Wallace, director
Mass spectrum (electron ionization)
Go To: Top, Gas phase thermochemistry data, IR Spectrum, 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
View image of digitized spectrum (can be printed in landscape orientation).
Due to licensing restrictions, this spectrum cannot be downloaded.
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 | NIST Mass Spectrometry Data Center, 1998. |
NIST MS number | 291362 |
References
Go To: Top, Gas phase thermochemistry data, IR Spectrum, Mass spectrum (electron ionization), Notes
Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
Van-chin-syan, Kochubei, et al., 1996
Van-chin-syan, Yu.Ya.; Kochubei, V.V.; Sergeev, V.V.; Raevskii, Yu.A.; Gerasimchuk, S.I.; Kotovich, Kh.Z.,
Thermodynamic properties of some acids and aldehydes of the acrylic series,
Sov. J. Chem. Phys. (Engl. Transl.), 1996, 70, 1789-1794, In original 1932. [all data]
Vilcu and Perisanu, 1980
Vilcu, R.; Perisanu, S.,
The ideal gas state enthalpies of formation of some monomers,
Rev. Roum. Chim., 1980, 25, 619-624. [all data]
Guthrie, 1978
Guthrie, J.P.,
Equilibrium constants for a series of simple aldol condensations, and linear free energy relations with other carbonyl addition reactions,
Can. J. Chem., 1978, 56, 962-973. [all data]
Thermodynamics Research Center, 1997
Thermodynamics Research Center,
Selected Values of Properties of Chemical Compounds., Thermodynamics Research Center, Texas A&M University, College Station, Texas, 1997. [all data]
Notes
Go To: Top, Gas phase thermochemistry data, IR Spectrum, Mass spectrum (electron ionization), References
- Symbols used in this document:
Cp,gas Constant pressure heat capacity of gas ΔfH°gas Enthalpy of formation of gas at standard conditions - Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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