Propanoic acid, 2-methyl-, ethyl ester
- Formula: C6H12O2
- Molecular weight: 116.1583
- IUPAC Standard InChI: InChI=1S/C6H12O2/c1-4-8-6(7)5(2)3/h5H,4H2,1-3H3
- IUPAC Standard InChIKey: WDAXFOBOLVPGLV-UHFFFAOYSA-N
- CAS Registry Number: 97-62-1
- 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: Isobutyric acid, ethyl ester; Ethyl isobutyrate; Ethyl 2-methylpropanoate; Ethyl 2-methylpropionate; Ethyl isobutanoate; Propionic acid, 2-methyl-, ethyl ester; UN 2385; Ethyl ester of 2-methyl-propanoic acid; Ethyl methylpropanoate; 2-Methylpropanoic acid ethyl ester; Ethyl 2,2-dimethylacetate; NSC 97194; Ethyl-2-methylproanoate
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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
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
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| Tboil | 383.4 ± 0.7 | K | AVG | N/A | Average of 14 out of 16 values; Individual data points |
| Quantity | Value | Units | Method | Reference | Comment |
| Tfus | 175.4 | K | N/A | Timmermans, 1922 | Uncertainty assigned by TRC = 0.3 K; TRC |
| Quantity | Value | Units | Method | Reference | Comment |
| Tc | 553.6 | K | N/A | Nadezhdin, 1887 | Uncertainty assigned by TRC = 4. K; TRC |
| Quantity | Value | Units | Method | Reference | Comment |
| Pc | 30.53 | bar | N/A | Nadezhdin, 1887 | Uncertainty assigned by TRC = 2.0265 bar; TRC |
| Quantity | Value | Units | Method | Reference | Comment |
| ρc | 2.38 | mol/l | N/A | Nadezhdin, 1887 | Uncertainty assigned by TRC = 0.07 mol/l; TRC |
| Quantity | Value | Units | Method | Reference | Comment |
| ΔvapH° | 39.88 | kJ/mol | N/A | Majer and Svoboda, 1985 | |
| ΔvapH° | 39.8 ± 0.1 | kJ/mol | C | Wadsö, Murto, et al., 1966 | AC |
| ΔvapH° | 39.8 ± 0.1 | kJ/mol | C | Wadso, 1966 | ALS |
| ΔvapH° | 35.6 ± 0.04 | kJ/mol | V | Mathews, 1926 | ALS |
Enthalpy of vaporization
| ΔvapH (kJ/mol) | Temperature (K) | Method | Reference | Comment |
|---|---|---|---|---|
| 33.67 | 383.3 | N/A | Majer and Svoboda, 1985 | |
| 36.0 | 398. | A | Stephenson and Malanowski, 1987 | Based on data from 383. to 483. K.; AC |
| 44.1 | 264. | A | Stephenson and Malanowski, 1987 | Based on data from 249. to 393. K. See also Stull, 1947.; AC |
Antoine Equation Parameters
log10(P) = A − (B / (T + C))
P = vapor pressure (bar)
T = temperature (K)
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| Temperature (K) | A | B | C | Reference | Comment |
|---|---|---|---|---|---|
| 248.9 to 383. | 4.48202 | 1536.985 | -39.904 | Stull, 1947 | Coefficents calculated by NIST from author's data. |
| 383.3 to 553. | 4.5700 | 1625.753 | -27.105 | Stull, 1947 | Coefficents calculated by NIST from author's data. |
References
Go To: Top, Phase change data, Notes
Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
Timmermans, 1922
Timmermans, J.,
Investigation of the Freezing Point of Organic Substances VII,
Bull. Soc. Chim. Belg., 1922, 31, 389. [all data]
Nadezhdin, 1887
Nadezhdin, A.,
Rep. Phys., 1887, 23, 708. [all data]
Majer and Svoboda, 1985
Majer, V.; Svoboda, V.,
Enthalpies of Vaporization of Organic Compounds: A Critical Review and Data Compilation, Blackwell Scientific Publications, Oxford, 1985, 300. [all data]
Wadsö, Murto, et al., 1966
Wadsö, Ingemar; Murto, Maija-Leena; Bergson, Göran; Ehrenberg, L.; Brunvoll, J.; Bunnenberg, E.; Djerassi, Carl; Records, Ruth,
Heats of Vaporization for a Number of Organic Compounds at 25 degrees C.,
Acta Chem. Scand., 1966, 20, 544-552, https://doi.org/10.3891/acta.chem.scand.20-0544
. [all data]
Wadso, 1966
Wadso, I.,
Acta Chem. Scand., 1966, 20, 544. [all data]
Mathews, 1926
Mathews, J.H.,
The accurate measurement of heats of vaporization of liquids,
J. Am. Chem. Soc., 1926, 48, 562-576. [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]
Stull, 1947
Stull, Daniel R.,
Vapor Pressure of Pure Substances. Organic and Inorganic Compounds,
Ind. Eng. Chem., 1947, 39, 4, 517-540, https://doi.org/10.1021/ie50448a022
. [all data]
Notes
Go To: Top, Phase change data, References
- Symbols used in this document:
Pc Critical pressure Tboil Boiling point Tc Critical temperature Tfus Fusion (melting) point ΔvapH Enthalpy of vaporization ΔvapH° Enthalpy of vaporization at standard conditions ρc Critical density - Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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