Benzeneacetic acid, ethyl ester
- Formula: C10H12O2
- Molecular weight: 164.2011
- IUPAC Standard InChI: InChI=1S/C10H12O2/c1-2-12-10(11)8-9-6-4-3-5-7-9/h3-7H,2,8H2,1H3
- IUPAC Standard InChIKey: DULCUDSUACXJJC-UHFFFAOYSA-N
- CAS Registry Number: 101-97-3
- 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: Acetic acid, phenyl-, ethyl ester; α-Toluic acid, ethyl ester; Ethyl α-toluate; Ethyl benzeneacetate; Ethyl phenacetate; Ethyl phenylacetate; Ethyl 2-phenylethanoate; Phenylacetic acid, ethyl ester; Ethyl phenylethanoate; Ethyl 2-phenylacetate; 2-Phenylacetic acid ethyl ester; NSC 406259
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Condensed phase thermochemistry data
Go To: Top, 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 |
|---|---|---|---|---|---|
| ΔcH°liquid | -1253.3 ± 1.0 | kcal/mol | Ccb | Roth and Muller, 1929 | Corresponding ΔfHºliquid = -97.087 kcal/mol (simple calculation by NIST; no Washburn corrections) |
Phase change data
Go To: Top, 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:
BS - Robert L. Brown and Stephen E. Stein
TRC - Thermodynamics Research Center, NIST Boulder Laboratories, Chris Muzny director
AC - William E. Acree, Jr., James S. Chickos
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| Tboil | 502.2 | K | N/A | Aldrich Chemical Company Inc., 1990 | BS |
| Tboil | 500.2 | K | N/A | Weast and Grasselli, 1989 | BS |
| Tboil | 501.90 | K | N/A | Lecat, 1927 | Uncertainty assigned by TRC = 0.5 K; TRC |
| Tboil | 501.90 | K | N/A | Lecat, 1926 | Uncertainty assigned by TRC = 0.5 K; TRC |
| Tboil | 500.5 | K | N/A | Perkin, 1896 | Uncertainty assigned by TRC = 1. K; TRC |
| Quantity | Value | Units | Method | Reference | Comment |
| ΔvapH° | 14.5 | kcal/mol | GC | Hoskovec, Grygarová, et al., 2005 | Based on data from 333. to 433. K.; AC |
| ΔvapH° | 15.4 ± 0.1 | kcal/mol | GS | Verevkin, 1999 | Based on data from 288. to 328. K.; AC |
Enthalpy of vaporization
| ΔvapH (kcal/mol) | Temperature (K) | Method | Reference | Comment |
|---|---|---|---|---|
| 15.3 ± 0.1 | 308. | GS | Verevkin, 1999 | Based on data from 288. to 328. K.; AC |
| 13. | 408. | A | Stephenson and Malanowski, 1987 | Based on data from 393. to 500. K.; AC |
References
Go To: Top, 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.
Roth and Muller, 1929
Roth, W.A.; Muller, Fr.,
Die Zersetzungswarme der Stickstoffwasserstoffsaure,
Ber., 1929, 62, 1188-1194. [all data]
Aldrich Chemical Company Inc., 1990
Aldrich Chemical Company Inc.,
Catalog Handbook of Fine Chemicals, Aldrich Chemical Company, Inc., Milwaukee WI, 1990, 1. [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]
Lecat, 1927
Lecat, M.,
New binary azeotropes: 6th list,
Ann. Soc. Sci. Bruxelles, Ser. B, 1927, 47, 63-71. [all data]
Lecat, 1926
Lecat, M.,
New binary azeotropes: 3rd list,
Ann. Soc. Sci. Bruxelles, Ser. B, 1926, 45, 284-94. [all data]
Perkin, 1896
Perkin, W.H.,
LXIX. On Magnetic Rotatory Power, especially of Aromatic Compounds,
J. Chem. Soc., 1896, 69, 1025-1257. [all data]
Hoskovec, Grygarová, et al., 2005
Hoskovec, Michal; Grygarová, Dana; Cvacka, Josef; Streinz, Ludvík; Zima, Jirí; Verevkin, Sergey P.; Koutek, Bohumír,
Determining the vapour pressures of plant volatiles from gas chromatographic retention data,
Journal of Chromatography A, 2005, 1083, 1-2, 161-172, https://doi.org/10.1016/j.chroma.2005.06.006
. [all data]
Verevkin, 1999
Verevkin, Sergey P.,
Strain effects in phenyl substituted methanes. Geminal interactions between phenyl and alkoxycarbonyl substituent,
Thermochimica Acta, 1999, 332, 1, 27-32, https://doi.org/10.1016/S0040-6031(99)00082-9
. [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, Condensed phase thermochemistry data, Phase change data, References
- Symbols used in this document:
Tboil Boiling point ΔcH°liquid Enthalpy of combustion of liquid at standard conditions ΔvapH Enthalpy of vaporization ΔvapH° Enthalpy of vaporization at standard conditions - Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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