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:
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Isotopologues:
- 2-Propanol, 2-methyl-d
- 2-Propanol, 2-methyl-d
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

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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
Δ_fH°_gas	-74.72 ± 0.21	kcal/mol	Eqk	Wiberg and Hao, 1991	Heat of hydration; ALS
Δ_fH°_gas	-74.9 ± 0.35	kcal/mol	Ccb	Skinner and Snelson, 1960	ALS
Δ_fH°_gas	-74.02	kcal/mol	N/A	Taft and Riesz, 1955	Value computed using Δ_fH_liquid° value of -356.0 kj/mol from Taft and Riesz, 1955 and Δ_vapH° value of 46.3 kj/mol from Skinner and Snelson, 1960.; DRB

Constant pressure heat capacity of gas

C_p,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

C_p,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/molK. 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

References

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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

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Symbols used in this document:

C_p,gas Constant pressure heat capacity of gas

Δ_fH°_gas Enthalpy of formation of gas at standard conditions
Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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C_p,gas	Constant pressure heat capacity of gas
Δ_fH°_gas	Enthalpy of formation of gas at standard conditions