1-Butanol, 3-methyl-
- Formula: C5H12O
- Molecular weight: 88.1482
- IUPAC Standard InChI: InChI=1S/C5H12O/c1-5(2)3-4-6/h5-6H,3-4H2,1-2H3
- IUPAC Standard InChIKey: PHTQWCKDNZKARW-UHFFFAOYSA-N
- CAS Registry Number: 123-51-3
- 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: Isopentyl alcohol; Fermentation amyl alcohol; Fusel Oil; Isoamyl alcohol; Isoamylol; Isobutyl carbinol; Isopentanol; 2-Methyl-4-butanol; 3-Methyl-1-butanol; 3-Methylbutanol; Alcool amilico; Alcool isoamylique; Amylowy alkohol; iso-amylalkohol; 3-Methylbutan-1-ol; 3-Metil-butanolo; Isoamyl alcohol, primary; Butanol, 3-methyl-; Butan-1-ol, 3-methyl; i-Amyl alcohol; Isopentan-1-ol; Methyl-3-butan-1-ol; NSC 1029; UN 1105; 3-methylbutanoI; Isoamyl alcohol (3-methyl butanol)
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Gas phase thermochemistry data
Go To: Top, 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:
DRB - Donald R. Burgess, Jr.
ALS - Hussein Y. Afeefy, Joel F. Liebman, and Stephen E. Stein
GT - Glushko Thermocenter, Russian Academy of Sciences, Moscow
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| ΔfH°gas | -71.89 | kcal/mol | N/A | Markovnik, Shvarko, et al., 1987 | Value computed using ΔfHliquid° value of -355.9±1.6 kj/mol from Markovnik, Shvarko, et al., 1987 and ΔvapH° value of 55.1 kj/mol from Chao and Rossini, 1965.; DRB |
| ΔfH°gas | -72.02 ± 0.35 | kcal/mol | Ccb | Chao and Rossini, 1965 | Heat of formation derived by Cox and Pilcher, 1970; ALS |
Constant pressure heat capacity of gas
| Cp,gas (cal/mol*K) | Temperature (K) | Reference | Comment |
|---|---|---|---|
| 44.75 ± 0.26 | 451.65 | Stromsoe E., 1970 | Ideal gas heat capacities are given by [ Stromsoe E., 1970] as a linear function Cp=f1*(a+bT). This expression approximates the experimental values with the average deviation of 1.09 J/mol*K. The accuracy of the experimental heat capacities [ Stromsoe E., 1970] is estimated as less than 0.3%.; GT |
| 46.30 ± 0.26 | 474.55 | ||
| 47.23 ± 0.26 | 488.35 | ||
| 47.96 ± 0.26 | 499.15 |
References
Go To: Top, Gas phase thermochemistry data, Notes
Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
Markovnik, Shvarko, et al., 1987
Markovnik, V.S.; Shvarko, O.V.; Al'khimovich, V.M.; Sachek, A.I.,
Temperature dependence of vapor pressure, of heats of formation, combustion, and vaporization of 3-methyl-1-butanol,
Termodin. Org. Soedin., 1987, 68-70. [all data]
Chao and Rossini, 1965
Chao, J.; Rossini, F.D.,
Heats of combustion, formation, and isomerization of nineteen alkanols,
J. Chem. Eng. Data, 1965, 10, 374-379. [all data]
Cox and Pilcher, 1970
Cox, J.D.; Pilcher, G.,
Thermochemistry of Organic and Organometallic Compounds, Academic Press, New York, 1970, 1-636. [all data]
Stromsoe E., 1970
Stromsoe E.,
Heat capacity of alcohol vapors at atmospheric pressure,
J. Chem. Eng. Data, 1970, 15, 286-290. [all data]
Notes
Go To: Top, Gas phase thermochemistry data, References
- Symbols used in this document:
Cp,gas Constant pressure heat capacity of gas ΔfH°gas Enthalpy of formation of gas at standard conditions - Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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