3-Ethylbenzoic acid
- Formula: C9H10O2
- Molecular weight: 150.1745
- IUPAC Standard InChI: InChI=1S/C9H10O2/c1-2-7-4-3-5-8(6-7)9(10)11/h3-6H,2H2,1H3,(H,10,11)
- IUPAC Standard InChIKey: HXUSUAKIRZZMGP-UHFFFAOYSA-N
- CAS Registry Number: 619-20-5
- Chemical structure:
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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 by: Hussein Y. Afeefy, Joel F. Liebman, and Stephen E. Stein
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| ΔfH°gas | -82.89 ± 0.35 | kcal/mol | Ccb | Colomina, Jimenez, et al., 1976 |
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:
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°solid | -106.58 ± 0.34 | kcal/mol | Ccb | Colomina, Jimenez, et al., 1976 | ALS |
| Quantity | Value | Units | Method | Reference | Comment |
| ΔcH°solid | -1081.47 ± 0.75 | kcal/mol | Ccb | Colomina, Jimenez, et al., 1976 | Corresponding ΔfHºsolid = -106.57 kcal/mol (simple calculation by NIST; no Washburn corrections); ALS |
Constant pressure heat capacity of solid
| Cp,solid (cal/mol*K) | Temperature (K) | Reference | Comment |
|---|---|---|---|
| 47.73 | 298.15 | Colomina, Jimenez, et al., 1984 | Cp given as 1.33 J/g*K.; DH |
References
Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Notes
Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
Colomina, Jimenez, et al., 1976
Colomina, M.; Jimenez, P.; Perez-Ossorio, R.; Turrion, C.,
Thermochemical properties of alkylbenzoic acids VI. Enthalpies of combustion and formation of the o-, m-, and p-ethylbenzoic acids,
J. Chem. Thermodyn., 1976, 8, 439-444. [all data]
Colomina, Jimenez, et al., 1984
Colomina, M.; Jimenez, P.; Roux, M.V.; Turrion, C.,
Thermochemical properties of benzoic acid derivatives. XI. Vapour pressures and enthalpies of sublimation and formation of the six dimethylbenzoic acids,
J. Chem. Thermodyn., 1984, 16, 1121-1127. [all data]
Notes
Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, References
- Symbols used in this document:
Cp,solid Constant pressure heat capacity of solid ΔcH°solid Enthalpy of combustion of solid at standard conditions ΔfH°gas Enthalpy of formation of gas at standard conditions ΔfH°solid Enthalpy of formation of solid at standard conditions - Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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