2-Propanol, 2-methyl-
- Formula: C4H10O
- Molecular weight: 74.1216
- IUPAC Standard InChI: InChI=1S/C4H10O/c1-4(2,3)5/h5H,1-3H3
- IUPAC Standard InChIKey: DKGAVHZHDRPRBM-UHFFFAOYSA-N
- CAS Registry Number: 75-65-0
- Chemical structure:
This structure is also available as a 2d Mol file or as a computed 3d SD file
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- Other names: tert-Butyl alcohol; tert-Butanol; Ethanol, 1,1-Dimethyl-; Trimethylcarbinol; Trimethylmethanol; 1,1-Dimethylethanol; 2-Methyl-2-propanol; tert-C4H9OH; t-Butanol; tert-Butyl hydroxide; 2-Methylpropanol-2; 2-Methylpropan-2-ol; Alcool butylique tertiaire; Butanol tertiaire; t-Butyl hydroxide; Methanol, trimethyl-; NCI-C55367; 2-Methyl n-propan-2-ol; Methyl-2 propanol-2; Tert.-butyl alcohol
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Gas phase thermochemistry data
Go To: Top, Mass spectrum (electron ionization), 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 | -74.72 ± 0.21 | kcal/mol | Eqk | Wiberg and Hao, 1991 | Heat of hydration; ALS |
| ΔfH°gas | -74.9 ± 0.35 | kcal/mol | Ccb | Skinner and Snelson, 1960 | ALS |
| ΔfH°gas | -74.02 | kcal/mol | N/A | Taft and Riesz, 1955 | Value computed using ΔfHliquid° value of -356.0 kj/mol from Taft and Riesz, 1955 and ΔvapH° value of 46.3 kj/mol from Skinner and Snelson, 1960.; DRB |
Constant pressure heat capacity of gas
| Cp,gas (cal/mol*K) | Temperature (K) | Reference | Comment |
|---|---|---|---|
| 8.568 | 50. | Thermodynamics Research Center, 1997 | p=1 bar. Selected values of S(T) and Cp(T) are in good agreement with those of [ Beynon E.T., 1963] because of using practically the same molecular constants in two calculations. Please also see Chao J., 1986.; GT |
| 12.60 | 100. | ||
| 16.83 | 150. | ||
| 20.38 | 200. | ||
| 25.404 | 273.15 | ||
| 27.158 ± 0.050 | 298.15 | ||
| 27.290 | 300. | ||
| 34.175 | 400. | ||
| 40.246 | 500. | ||
| 45.327 | 600. | ||
| 49.591 | 700. | ||
| 53.229 | 800. | ||
| 56.370 | 900. | ||
| 59.097 | 1000. | ||
| 61.472 | 1100. | ||
| 63.540 | 1200. | ||
| 65.337 | 1300. | ||
| 66.902 | 1400. | ||
| 68.265 | 1500. | ||
| 70.96 | 1750. | ||
| 72.87 | 2000. | ||
| 74.26 | 2250. | ||
| 75.26 | 2500. | ||
| 76.00 | 2750. | ||
| 76.55 | 3000. |
Constant pressure heat capacity of gas
| Cp,gas (cal/mol*K) | Temperature (K) | Reference | Comment |
|---|---|---|---|
| 31.87 ± 0.27 | 360.55 | 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 1.13 J/mol*K. The accuracy of the experimental heat capacities [ Stromsoe E., 1970] is estimated as less than 0.3%. Please also see Beynon E.T., 1963.; GT |
| 31.699 | 365.15 | ||
| 32.56 ± 0.27 | 372.85 | ||
| 32.971 | 383.15 | ||
| 33.27 ± 0.27 | 385.65 | ||
| 34.149 | 401.15 | ||
| 34.68 ± 0.27 | 410.85 | ||
| 35.390 | 419.15 | ||
| 36.699 | 437.15 | ||
| 36.30 ± 0.27 | 439.85 | ||
| 36.39 ± 0.27 | 441.45 | ||
| 38.02 ± 0.27 | 470.75 | ||
| 39.61 ± 0.27 | 499.25 | ||
| 41.25 ± 0.27 | 528.75 | ||
| 43.84 ± 0.27 | 575.05 | ||
| 44.76 ± 0.27 | 591.55 |
Mass spectrum (electron ionization)
Go To: Top, Gas 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 by: NIST Mass Spectrometry Data Center, William E. Wallace, director
Spectrum
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Additional Data
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| Owner | NIST Mass Spectrometry Data Center Collection (C) 2014 copyright by the U.S. Secretary of Commerce on behalf of the United States of America. All rights reserved. |
|---|---|
| Origin | NIST Mass Spectrometry Data Center, 1998. |
| NIST MS number | 291339 |
References
Go To: Top, Gas phase thermochemistry data, Mass spectrum (electron ionization), Notes
Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
Wiberg and Hao, 1991
Wiberg, K.B.; Hao, S.,
Enthalpies of hydration of alkenes. 4. Formation of acyclic tert-alcohols,
J. Org. Chem., 1991, 56, 5108-5110. [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]
Taft and Riesz, 1955
Taft, R.W., Jr.; Riesz, P.,
Thermodynamic properties for the system isobutene-t-butyl alcohol,
J. Am. Chem. Soc., 1955, 77, 902-904. [all data]
Thermodynamics Research Center, 1997
Thermodynamics Research Center,
Selected Values of Properties of Chemical Compounds., Thermodynamics Research Center, Texas A&M University, College Station, Texas, 1997. [all data]
Beynon E.T., 1963
Beynon E.T., Jr.,
The thermodynamic properties of 2-methyl-2-propanol,
J. Phys. Chem., 1963, 67, 2761-2765. [all data]
Chao J., 1986
Chao J.,
Thermodynamic properties of key organic oxygen compounds in the carbon range C1 to C4. Part 2. Ideal gas properties,
J. Phys. Chem. Ref. Data, 1986, 15, 1369-1436. [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, Mass spectrum (electron ionization), 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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