Butanoic acid, 3-methyl-
- Formula: C5H10O2
- Molecular weight: 102.1317
- IUPAC Standard InChIKey: GWYFCOCPABKNJV-UHFFFAOYSA-N
- CAS Registry Number: 503-74-2
- 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: Isovaleric acid; β-Methylbutyric acid; Acetic acid, isopropyl-; Delphinic acid; Isopentanoic acid; Isopropylacetic acid; 3-Methylbutanoic acid; 3-Methylbutyric acid; iso-C4H9COOH; Butyric acid, 3-methyl-; Isovalerianic acid; Kyselina isovalerova; 3-Methyl-n-butyric acid; NSC 62783; Isobutylformic acid; 3-methylbutanoic acid (isovaleric acid); Methylbutanoic acid
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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 | 448. ± 3. | K | AVG | N/A | Average of 24 values; Individual data points |
Quantity | Value | Units | Method | Reference | Comment |
Tfus | 243.85 | K | N/A | Timmermans, 1952 | Uncertainty assigned by TRC = 0.4 K; TRC |
Tfus | 243. | K | N/A | Timmermans, 1935 | Uncertainty assigned by TRC = 2. K; TRC |
Tfus | 243.15 | K | N/A | Timmermans, 1934 | Uncertainty assigned by TRC = 0.4 K; TRC |
Tfus | 235.15 | K | N/A | Timmermans, 1911 | Uncertainty assigned by TRC = 0.5 K; TRC |
Quantity | Value | Units | Method | Reference | Comment |
Tc | 629. | K | N/A | Ambrose and Ghiassee, 1987 | Uncertainty assigned by TRC = 1. K; TRC |
Tc | 633.83 | K | N/A | Brown, 1906 | Uncertainty assigned by TRC = 6. K; TRC |
Quantity | Value | Units | Method | Reference | Comment |
Pc | 34.00 | bar | N/A | Ambrose and Ghiassee, 1987 | Uncertainty assigned by TRC = 0.25 bar; TRC |
Quantity | Value | Units | Method | Reference | Comment |
ΔvapH° | 61.2 ± 0.3 | kJ/mol | GS | Verevkin, 2000 | Based on data from 293. to 323. K.; AC |
ΔvapH° | 57.5 ± 3.0 | kJ/mol | V | Kruif and Oonk, 1979 | ALS |
ΔvapH° | 58. ± 3. | kJ/mol | TE | Kruif and Oonk, 1979 | Based on data from 243. to 259. K.; AC |
ΔvapH° | 46.91 ± 0.18 | kJ/mol | C | Konicek and Wadso, 1970 | ALS |
Enthalpy of vaporization
ΔvapH (kJ/mol) | Temperature (K) | Method | Reference | Comment |
---|---|---|---|---|
53.8 | 411. | N/A | Clifford, Ramjugernath, et al., 2004 | Based on data from 396. to 448. K.; AC |
60.7 ± 0.3 | 308. | GS | Verevkin, 2000 | Based on data from 293. to 323. K.; AC |
55.8 | 379. | A,EB | Ambrose and Ghiassee, 1987, 2 | Based on data from 364. to 464. K.; AC |
56.6 | 322. | A | Stephenson and Malanowski, 1987 | Based on data from 307. to 448. K.; AC |
45.9 | 375. | N/A | Kahlbaum, 1894 | Based on data from 360. to 377. K.; 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 |
---|---|---|---|---|---|
359.8 to 377.3 | -0.26585 | 50.172 | -320.762 | Kahlbaum, 1894, 2 | 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, 1952
Timmermans, J.,
Freezing points of organic compounds. VVI New determinations.,
Bull. Soc. Chim. Belg., 1952, 61, 393. [all data]
Timmermans, 1935
Timmermans, J.,
Researches in Stoichiometry. I. The Heat of Fusion of Organic Compounds.,
Bull. Soc. Chim. Belg., 1935, 44, 17-40. [all data]
Timmermans, 1934
Timmermans, J.,
Theory of Concentrated Solutions XII.,
Bull. Soc. Chim. Belg., 1934, 43, 626. [all data]
Timmermans, 1911
Timmermans, J.,
Researches on the freezing point of organic liquid compounds,
Bull. Soc. Chim. Belg., 1911, 25, 300. [all data]
Ambrose and Ghiassee, 1987
Ambrose, D.; Ghiassee, N.B.,
Vapor Pressures and Critical Temperatures and Critical Pressures of Some Alkanoic Acids: C1 to C10,
J. Chem. Thermodyn., 1987, 19, 505. [all data]
Brown, 1906
Brown, J.C.,
The critical temperature and value of ml/theta of some carbon compounds,
J. Chem. Soc., Trans., 1906, 89, 311. [all data]
Verevkin, 2000
Verevkin, S.P.,
Measurement and Prediction of the Monocarboxylic Acids Thermochemical Properties,
J. Chem. Eng. Data, 2000, 45, 5, 953-960, https://doi.org/10.1021/je990282m
. [all data]
Kruif and Oonk, 1979
Kruif, C.G.; Oonk, H.A.J.,
Enthalpies of vaporization and vapour pressures of seven aliphatic carboxylic acids,
J. Chem. Thermodyn., 1979, 11, 287-290. [all data]
Konicek and Wadso, 1970
Konicek, J.; Wadso, I.,
Enthalpies of vaporization of organic compounds. VII. Some carboxylic acids,
Acta Chem. Scand., 1970, 24, 2612-26. [all data]
Clifford, Ramjugernath, et al., 2004
Clifford, Scott L.; Ramjugernath, Deresh; Raal, J. David,
Subatmospheric Vapor Pressure Curves for Propionic Acid, Butyric Acid, Isobutyric Acid, Valeric Acid, Isovaleric Acid, Hexanoic Acid, and Heptanoic Acid,
J. Chem. Eng. Data, 2004, 49, 5, 1189-1192, https://doi.org/10.1021/je034180e
. [all data]
Ambrose and Ghiassee, 1987, 2
Ambrose, D.; Ghiassee, N.B.,
Vapour pressures and critical temperatures and critical pressures of some alkanoic acids: C1 to C10,
The Journal of Chemical Thermodynamics, 1987, 19, 5, 505-519, https://doi.org/10.1016/0021-9614(87)90147-9
. [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]
Kahlbaum, 1894
Kahlbaum, G.W.A.,
Z. Phys. Chem., Stoechiom. Verwandtschaftsl., 1894, 13, 14. [all data]
Kahlbaum, 1894, 2
Kahlbaum, G.W.A.,
Studien uber Dampfspannkraftsmessungen,
Z. Phys. Chem. (Leipzig), 1894, 13, 14-55. [all data]
Notes
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- 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 - Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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