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
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: 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
Go To: Top, Gas 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 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 |
Phase change data
Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry 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 as indicated in comments:
TRC - Thermodynamics Research Center, NIST Boulder Laboratories, Chris Muzny director
AC - William E. Acree, Jr., James S. Chickos
ALS - Hussein Y. Afeefy, Joel F. Liebman, and Stephen E. Stein
DRB - Donald R. Burgess, Jr.
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| Tfus | 318. | K | N/A | Crawford and Stewart, 1952 | Uncertainty assigned by TRC = 4. K; TRC |
| Quantity | Value | Units | Method | Reference | Comment |
| ΔsubH° | 23.8 ± 0.1 | kcal/mol | ME | Colomina, Jimenez, et al., 1984, 2 | AC |
| ΔsubH° | 23.69 ± 0.09 | kcal/mol | V | Colomina, Jimenez, et al., 1976 | ALS |
| ΔsubH° | 23.7 | kcal/mol | N/A | Colomina, Jimenez, et al., 1976 | DRB |
| ΔsubH° | 23.69 ± 0.60 | kcal/mol | ME | Colomina, Jimenez, et al., 1976 | Based on data from 300. to 318. K.; AC |
Enthalpy of sublimation
| ΔsubH (kcal/mol) | Temperature (K) | Method | Reference | Comment |
|---|---|---|---|---|
| 23.7 | 309. | ME | Stephenson and Malanowski, 1987 | Based on data from 300. to 318. K. See also Colomina, Jimenez, et al., 1976.; 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.
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]
Crawford and Stewart, 1952
Crawford, M.; Stewart, F.H.C.,
The Preparation of Some Alkyl-substituted Benzoic Acids,
J. Chem. Soc., 1952, 1952, 4443-7. [all data]
Colomina, Jimenez, et al., 1984, 2
Colomina, M.; Jimenez, P.; Roux, M.V.; Turrion, C.,
Thermochemistry of p-ethylbenzoic acid,
J. Chem. Thermodyn., 1984, 16, 379-384. [all data]
Stephenson and Malanowski, 1987
Stephenson, Richard M.; Malanowski, Stanislaw,
Handbook of the Thermodynamics of Organic Compounds, 1987, https://doi.org/10.1007/978-94-009-3173-2
. [all data]
Notes
Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Phase change data, References
- Symbols used in this document:
Cp,solid Constant pressure heat capacity of solid Tfus Fusion (melting) point 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 ΔsubH Enthalpy of sublimation ΔsubH° Enthalpy of sublimation at standard conditions - Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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