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:
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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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Condensed phase thermochemistry data

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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
Δ_fH°_liquid	-80.0 ± 0.2	kcal/mol	Eqk	Connett, 1975	Heat of dehydrogenation; ALS
Δ_fH°_liquid	-79.73 ± 0.15	kcal/mol	Ccb	Chao and Rossini, 1965	see Rossini, 1934; ALS
Δ_fH°_liquid	-80.00 ± 0.20	kcal/mol	Ccb	Skinner and Snelson, 1960	ALS
Quantity	Value	Units	Method	Reference	Comment
Δ_cH°_liquid	-638.06 ± 0.14	kcal/mol	Ccb	Chao and Rossini, 1965	see Rossini, 1934; Corresponding Δ_fHº_liquid = -79.72 kcal/mol (simple calculation by NIST; no Washburn corrections); ALS
Δ_cH°_liquid	-637.79 ± 0.20	kcal/mol	Ccb	Skinner and Snelson, 1960	Corresponding Δ_fHº_liquid = -79.99 kcal/mol (simple calculation by NIST; no Washburn corrections); ALS
Δ_cH°_liquid	-637.139	kcal/mol	Ccb	Richards and Davis, 1920	At 291 K; Corresponding Δ_fHº_liquid = -80.641 kcal/mol (simple calculation by NIST; no Washburn corrections); ALS
Quantity	Value	Units	Method	Reference	Comment
S°_liquid	51.27	cal/mol*K	N/A	Counsell, Lees, et al., 1968	DH
Quantity	Value	Units	Method	Reference	Comment
S°_{solid,1 bar}	33.63	cal/mol*K	N/A	Counsell, Lees, et al., 1968	glass phase; DH

Constant pressure heat capacity of liquid

C_p,liquid (cal/mol*K)	Temperature (K)	Reference	Comment
43.272	298.15	Okano, Ogawa, et al., 1988	DH
43.501	298.15	Piekarski and Somsen, 1988	DH
44.36	303.15	Rybalkin, Emel'yanov, et al., 1978	T = 293.15 to 353.15 K. Cp given as 2504 J/kg*K.; DH
44.31	301.2	Paz Andrade, Paz, et al., 1970	T = 28, 40°C.; DH
43.26	298.15	Counsell, Lees, et al., 1968	T = 10 to 350 K.; DH
48.11	323.	Swietoslawski and Zielenkiewicz, 1960	Mean value 21 to 78°C.; DH
51.41	333.	Swietoslawski and Zielenkiewicz, 1958	Mean value 21 to 99°C.; DH
44.00	298.1	Zhdanov, 1941	T = 5 to 46°C.; DH
44.69	303.	Willams and Daniels, 1924	T = 303 to 343 K. Equation only.; DH

Constant pressure heat capacity of solid

C_p,solid (cal/mol*K)	Temperature (K)	Reference	Comment
30.88	180.	Counsell, Lees, et al., 1968	glass phase; T = 10 to 180 K.; DH

References

Go To: Top, Condensed phase thermochemistry data, Notes

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]

Rossini, 1934
Rossini, F.D., Heats of combustion and of formation of the normal aliphatic alcohols in the gaseous and liquid states, and the energies of their atomic linkages, J. Res. NBS, 1934, 13, 189-197. [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]

Richards and Davis, 1920
Richards, T.W.; Davis, H.S., The heats of combustion of benzene, toluene, aliphatic alcohols, cyclohexanol, and other carbon compounds, J. Am. Chem. Soc., 1920, 42, 1599-1617. [all data]

Counsell, Lees, et al., 1968
Counsell, J.F.; Lees, E.B.; Martin, J.F., Thermodynamic properties of organic oxygen compounds. Part XIX. Low temperature heat capacity and entropy of propan-1-ol, 2-methyl-propan-1-ol, and pentan-1-ol, 1968, J. [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]

Piekarski and Somsen, 1988
Piekarski, H.; Somsen, G., Heat capacities and volumes of mixtures of N,N-dimethylformamide with isobutanol, sec-butanol and t-pentanol, J. Chem. Soc., Faraday Trans. 1, 1988, 84(2), 529-537. [all data]

Rybalkin, Emel'yanov, et al., 1978
Rybalkin, V.I.; Emel'yanov, V.M.; Stupak, P.M.; Litovchenko, N.P.; Z'ola, M.I., Study of the heat capacity of initial compounds and reaction products in the production of metal dialkyldithiophosphates, B.S.R. Inst. Neftepererab. Neftekhim. Prom. (Kiev), 1978, (16), 48-50. [all data]

Paz Andrade, Paz, et al., 1970
Paz Andrade, M.I.; Paz, J.M.; Recacho, E., Contribucion a la microcalorimetria de los calores especificos de solidos y liquidos, An. Quim., 1970, 66, 961-967. [all data]

Swietoslawski and Zielenkiewicz, 1960
Swietoslawski, W.; Zielenkiewicz, A., Mean specific heat in homologous series of binary and ternary positive azeotropes, Bull. Acad. Pol. Sci. Ser. Sci. Chim., 1960, 8, 651-653. [all data]

Swietoslawski and Zielenkiewicz, 1958
Swietoslawski, W.; Zielenkiewicz, A., Mean specific heats of binary positive azeotropes, Bull. Acad. Pol. Sci. Ser. Sci. Chim., 1958, 6, 367-369. [all data]

Zhdanov, 1941
Zhdanov, A.K., Specific heats of some liquids and azeotropic mixtures, Zhur. Obshch. Khim., 1941, 11, 471-482. [all data]

Willams and Daniels, 1924
Willams, J.W.; Daniels, F., The specific heats of certain organic liquids at elevated temperatures, J. Am. Chem. Soc., 1924, 46, 903-917. [all data]

Notes

Go To: Top, Condensed phase thermochemistry data, References

Symbols used in this document:

C_p,liquid	Constant pressure heat capacity of liquid
C_p,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)
Δ_cH°_liquid	Enthalpy of combustion of liquid at standard conditions
Δ_fH°_liquid	Enthalpy of formation of liquid at standard conditions

Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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