2-Propanol, 2-methyl-
- Formula: C4H10O
- Molecular weight: 74.1216
- 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
The 3d structure may be viewed using Java or Javascript. - Isotopologues:
- 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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Condensed 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
DH - Eugene S. Domalski and Elizabeth D. Hearing
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔfH°liquid | -359.2 ± 0.84 | kJ/mol | Eqk | Wiberg and Hao, 1991 | Heat of hydration; ALS |
ΔfH°liquid | -359.3 ± 0.79 | kJ/mol | Ccb | Skinner and Snelson, 1960 | ALS |
ΔfH°liquid | -356. | kJ/mol | Eqk | Taft and Riesz, 1955 | ALS |
Quantity | Value | Units | Method | Reference | Comment |
ΔcH°liquid | -2644.0 ± 0.79 | kJ/mol | Ccb | Skinner and Snelson, 1960 | Corresponding ΔfHºliquid = -359.2 kJ/mol (simple calculation by NIST; no Washburn corrections); ALS |
Quantity | Value | Units | Method | Reference | Comment |
S°liquid | 189.5 | J/mol*K | N/A | Parks, Kelley, et al., 1929 | Extrapolation bloew 90 K, 45.19 J/mol*K. Revision of previous data.; DH |
S°liquid | 197.5 | J/mol*K | N/A | Parks and Anderson, 1926 | Extrapolation below 90 K, 53.35 J/mol*K.; DH |
Quantity | Value | Units | Method | Reference | Comment |
ΔcH°solid | -2633. | kJ/mol | Ccb | Raley, Rust, et al., 1948 | Corresponding ΔfHºsolid = -370. kJ/mol (simple calculation by NIST; no Washburn corrections); ALS |
Quantity | Value | Units | Method | Reference | Comment |
S°solid,1 bar | 170.87 | J/mol*K | N/A | Oetting F.L., 1963 | crystaline, I phase; DH |
Constant pressure heat capacity of liquid
Cp,liquid (J/mol*K) | Temperature (K) | Reference | Comment |
---|---|---|---|
215.37 | 298.15 | Caceres-Alonso, Costas, et al., 1988 | DH |
221.88 | 299.15 | Okano, Ogawa, et al., 1988 | DH |
210. | 298. | De Visser, Perron, et al., 1977 | DH |
210. | 298.15 | De Visser, Perron, et al., 1977, 2 | T = 298.15, 313.15, 328.15 K.; DH |
224.9 | 298.15 | Murthy and Subrahmanyam, 1977 | DH |
218.6 | 298.15 | Skold, Suurkuusk, et al., 1976 | DH |
224.7 | 300. | Parks and Anderson, 1926 | T = 87 to 300 K. Value is unsmoothed experimental datum.; DH |
Constant pressure heat capacity of solid
Cp,solid (J/mol*K) | Temperature (K) | Reference | Comment |
---|---|---|---|
146.11 | 298.15 | Oetting F.L., 1963 | crystaline, I phase; T = 15 to 330 K.; DH |
References
Go To: Top, Condensed phase thermochemistry data, 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]
Parks, Kelley, et al., 1929
Parks, G.S.; Kelley, K.K.; Huffman, H.M.,
Thermal data on organic compounds. V. A revision of the entropies and free energies of nineteen organic compounds,
J. Am. Chem. Soc., 1929, 51, 1969-1973. [all data]
Parks and Anderson, 1926
Parks, G.S.; Anderson, C.T.,
Thermal data on organic compounds. III. The heat capacities, entropies and free energies of tertiary butyl alcohol, mannitol, erythritol and normal butyric acid,
J. Am. Chem. Soc., 1926, 48, 1506-1512. [all data]
Raley, Rust, et al., 1948
Raley, J.H.; Rust, F.F.; Vaughan, W.E.,
Decompositions of Di-t-alkyl peroxides. I. Kinetics,
J. Am. Chem. Soc., 1948, 70, 88-94. [all data]
Oetting F.L., 1963
Oetting F.L.,
The heat capacity and entropy of 2-methyl-2-propanol from 15 to 330 K,
J. Phys. Chem., 1963, 67, 2757-2761. [all data]
Caceres-Alonso, Costas, et al., 1988
Caceres-Alonso, M.; Costas, M.; Andreoli-Ball, L.; Patterson, D.,
Steric effects on the self-association of branched and cyclic alcohols in inert solvents. Apparent heat capacities of secondary and tertiary alcohols in hydrocarbons,
Can. J. Chem., 1988, 66, 989-998. [all data]
Okano, Ogawa, et al., 1988
Okano, T.; Ogawa, H.; Murakami, S.,
Molar excess volumes, isentropic compressions, and isobaric heat capacities of methanol-isomeric butanol systems at 298.15 K,
Can. J. Chem., 1988, 66, 713-717. [all data]
De Visser, Perron, et al., 1977
De Visser, C.; Perron, G.; Desnoyers, J.E.,
Volumes and heat capacities of ternary aqueous systems at 25°C. Mixtures of urea, tert-butyl alcohol, N,N-dimethylformamide, and water,
J. Amer. Chem. Soc., 1977, 99, 5894-5900. [all data]
De Visser, Perron, et al., 1977, 2
De Visser, C.; Perron, G.; Desnoyers, J.E.,
The heat capacities, volumes and expansibilities of tert-butyl alcohol - water mixtures form 6 to 65°C,
Can. J. Chem., 1977, 55, 856-762. [all data]
Murthy and Subrahmanyam, 1977
Murthy, N.M.; Subrahmanyam, S.V.,
Behaviour of excess heat capacity of aqueous non-electrolytes,
Indian J. Pure Appl. Phys., 1977, 15, 485-489. [all data]
Skold, Suurkuusk, et al., 1976
Skold, R.; Suurkuusk, J.; Wadso, I.,
Thermochemistry of solutions of biochemical model compounds. 7. Aqueous solutions of some amides, t-butanol, and pentanol,
J. Chem. Thermodynam., 1976, 8, 1075-1080. [all data]
Notes
Go To: Top, Condensed phase thermochemistry data, References
- Symbols used in this document:
Cp,liquid Constant pressure heat capacity of liquid Cp,solid Constant pressure heat capacity of solid S°liquid Entropy of liquid at standard conditions S°solid,1 bar Entropy of solid at standard conditions (1 bar) ΔcH°liquid Enthalpy of combustion of liquid at standard conditions ΔcH°solid Enthalpy of combustion of solid at standard conditions ΔfH°liquid Enthalpy of formation of liquid at standard conditions - Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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