Cyclopropanecarboxylic acid
- Formula: C4H6O2
- Molecular weight: 86.0892
- IUPAC Standard InChI: InChI=1S/C4H6O2/c5-4(6)3-1-2-3/h3H,1-2H2,(H,5,6)
- IUPAC Standard InChIKey: YMGUBTXCNDTFJI-UHFFFAOYSA-N
- CAS Registry Number: 1759-53-1
- 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: Carboxycyclopropane; Cyclopropionic acid; Cyclopropylcarboxylic acid; Cyclopropylmethanoic acid; Cyclpropanecarboxylic acid
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Gas phase thermochemistry data
Go To: Top, Condensed phase thermochemistry data, Phase change data, 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: Glushko Thermocenter, Russian Academy of Sciences, Moscow
Constant pressure heat capacity of gas
| Cp,gas (cal/mol*K) | Temperature (K) | Reference | Comment |
|---|---|---|---|
| 22.65 | 298.16 | Tabacik V., 1978 | |
| 26.429 | 353.16 | ||
| 29.661 | 403.16 | ||
| 32.591 | 453.16 |
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 by: Hussein Y. Afeefy, Joel F. Liebman, and Stephen E. Stein
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| ΔcH°liquid | -486.4 | kcal/mol | Ccb | Bruylants and Stassens, 1921 | Corresponding ΔfHºliquid = -94.7 kcal/mol (simple calculation by NIST; no Washburn corrections) |
| ΔcH°liquid | -479.7 | kcal/mol | Ccb | Roth and Ostling, 1913 | Corresponding ΔfHºliquid = -101.4 kcal/mol (simple calculation by NIST; no Washburn corrections) |
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
AC - William E. Acree, Jr., James S. Chickos
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| Tboil | 456.2 | K | N/A | Weast and Grasselli, 1989 | BS |
| Tboil | 455. to 457. | K | N/A | Frinton Laboratories Inc., 1986 | BS |
Enthalpy of vaporization
| ΔvapH (kcal/mol) | Temperature (K) | Method | Reference | Comment |
|---|---|---|---|---|
| 14.1 ± 0.07 | 340. | EB | Steele, Chirico, et al., 2002 | Based on data from 357. to 473. K.; AC |
| 13.3 ± 0.05 | 380. | EB | Steele, Chirico, et al., 2002 | Based on data from 357. to 473. K.; AC |
| 12.5 ± 0.05 | 420. | EB | Steele, Chirico, et al., 2002 | Based on data from 357. to 473. K.; AC |
| 11.7 ± 0.1 | 460. | EB | Steele, Chirico, et al., 2002 | Based on data from 357. to 473. K.; AC |
References
Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Phase change data, Notes
Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
Tabacik V., 1978
Tabacik V.,
Vibrational spectra in cyclopropane series. III. Fundamental modes of cyclopropanecarboxylic acid monomer and of its -OD species,
Spectrochim. Acta, 1978, A34, 315-329. [all data]
Bruylants and Stassens, 1921
Bruylants, P.; Stassens, A.,
Contribution a letude des composes a noyau trimethylenique,
Bull. Cl. Sci. Acad. R. Belg., 1921, 7, 702-719. [all data]
Roth and Ostling, 1913
Roth, W.A.; Ostling, G.J.,
Thermochemische Untersuchungen in der alicyclischen Reihe,
Ber., 1913, 46, 309-327. [all data]
Weast and Grasselli, 1989
CRC Handbook of Data on Organic Compounds, 2nd Editon, Weast,R.C and Grasselli, J.G., ed(s)., CRC Press, Inc., Boca Raton, FL, 1989, 1. [all data]
Frinton Laboratories Inc., 1986
Frinton Laboratories Inc.,
Catalog Number 11, Frinton Laboratories Inc., Vineland, NJ, 1986, 99. [all data]
Steele, Chirico, et al., 2002
Steele, W.V.; Chirico, R.D.; Knipmeyer, S.E.; Nguyen, A.,
Measurements of Vapor Pressure, Heat Capacity, and Density along the Saturation Line for Cyclopropane Carboxylic Acid, N , N -Diethylethanolamine, 2,3-Dihydrofuran, 5-Hexen-2-one, Perfluorobutanoic Acid, and 2-Phenylpropionaldehyde,
J. Chem. Eng. Data, 2002, 47, 4, 715-724, https://doi.org/10.1021/je010087j
. [all data]
Notes
Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Phase change data, References
- Symbols used in this document:
Cp,gas Constant pressure heat capacity of gas Tboil Boiling point ΔcH°liquid Enthalpy of combustion of liquid at standard conditions ΔvapH Enthalpy of vaporization - Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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