1-Propanol, 2-methyl-
- Formula: C4H10O
- Molecular weight: 74.1216
- IUPAC Standard InChI: InChI=1S/C4H10O/c1-4(2)3-5/h4-5H,3H2,1-2H3
- IUPAC Standard InChIKey: ZXEKIIBDNHEJCQ-UHFFFAOYSA-N
- CAS Registry Number: 78-83-1
- 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: Isobutyl alcohol; Isobutanol; Isopropylcarbinol; 2-Methyl-1-propanol; iso-C4H9OH; Fermentation butyl alcohol; 1-Hydroxymethylpropane; 2-Methylpropanol; 2-Methylpropan-1-ol; 2-Methylpropanol-1; 2-Methylpropyl alcohol; Butanol-iso; Alcool isobutylique; Isobutylalkohol; Rcra waste number U140; UN 1212; i-Butyl alcohol; Isopropyl carbitol; Propanol, 2-methyl-; 2-methyl-1-propanyl alcohol; i-Butanol; Methyl-2 propanol-1; NSC 5708; 2-methylpropanoI
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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:
ALS - Hussein Y. Afeefy, Joel F. Liebman, and Stephen E. Stein
DRB - Donald R. Burgess, Jr.
GT - Glushko Thermocenter, Russian Academy of Sciences, Moscow
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| ΔfH°gas | -67.8 ± 0.2 | kcal/mol | Eqk | Connett, 1975 | Heat of dehydrogenation; ALS |
| ΔfH°gas | -67.61 | kcal/mol | N/A | Chao and Rossini, 1965 | Value computed using ΔfHliquid° value of -333.6±0.6 kj/mol from Chao and Rossini, 1965 and ΔvapH° value of 50.7 kj/mol from Skinner and Snelson, 1960.; DRB |
| ΔfH°gas | -67.9 ± 0.35 | kcal/mol | Ccb | Skinner and Snelson, 1960 | ALS |
| Quantity | Value | Units | Method | Reference | Comment |
| S°gas | 83.65 | cal/mol*K | N/A | Counsell J.F., 1968 | GT |
Constant pressure heat capacity of gas
| Cp,gas (cal/mol*K) | Temperature (K) | Reference | Comment |
|---|---|---|---|
| 31.965 | 379.99 | 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 0.71 J/mol*K. The accuracy of the experimental heat capacities [ Stromsoe E., 1970] is estimated as less than 0.3%. Please also see Counsell J.F., 1970.; GT |
| 32.108 | 381.23 | ||
| 33.48 ± 0.17 | 390.55 | ||
| 33.88 ± 0.17 | 397.65 | ||
| 33.353 | 400.03 | ||
| 34.40 ± 0.17 | 406.95 | ||
| 34.95 ± 0.17 | 416.95 | ||
| 35.35 ± 0.17 | 424.05 | ||
| 34.978 | 425.01 | ||
| 36.34 ± 0.17 | 441.85 | ||
| 36.561 | 450.06 | ||
| 36.86 ± 0.17 | 451.25 | ||
| 38.15 ± 0.17 | 474.35 | ||
| 37.988 | 475.09 | ||
| 38.34 ± 0.17 | 477.75 | ||
| 39.67 ± 0.17 | 501.55 | ||
| 41.02 ± 0.17 | 525.85 | ||
| 42.16 ± 0.17 | 546.35 | ||
| 44.20 ± 0.17 | 582.95 | ||
| 45.29 ± 0.17 | 602.55 |
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.
Connett, 1975
Connett, J.E.,
Chemical equilibria 6. Measurement of equilibrium constants for the dehydrogenation of 2-methylpropan-1-ol by a vapour-flow technique,
J. Chem. Thermodyn., 1975, 7, 1159-1162. [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]
Skinner and Snelson, 1960
Skinner, H.A.; Snelson, A.,
The heats of combustion of the four isomeric butyl alcohols,
Trans. Faraday Soc., 1960, 56, 1776-1783. [all data]
Counsell J.F., 1968
Counsell J.F.,
Thermodynamic properties of organic oxygen compounds. Part XIX. Low-temperature heat capacity and entropy of propan-1-ol, 2-methylpropan-1-ol, and pentan-1-ol,
J. Chem. Soc. A, 1968, 1819-1823. [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]
Counsell J.F., 1970
Counsell J.F.,
Thermodynamic properties of organic oxygen compounds. 24. Vapor heat capacities and enthalpies of vaporization of ethanol, 2-methyl-1-propanol, and 1-pentanol,
J. Chem. Thermodyn., 1970, 2, 367-372. [all data]
Notes
Go To: Top, Gas phase thermochemistry data, References
- Symbols used in this document:
Cp,gas Constant pressure heat capacity of gas S°gas Entropy of gas at standard conditions ΔfH°gas Enthalpy of formation of gas at standard conditions - Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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