1-Butanol

Formula: C₄H₁₀O
Molecular weight: 74.1216
IUPAC Standard InChI: InChI=1S/C4H10O/c1-2-3-4-5/h5H,2-4H2,1H3
IUPAC Standard InChIKey: LRHPLDYGYMQRHN-UHFFFAOYSA-N
CAS Registry Number: 71-36-3
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: Butyl alcohol; n-Butan-1-ol; n-Butanol; n-Butyl alcohol; Butyl hydroxide; CCS 203; Hemostyp; Methylolpropane; Propylcarbinol; n-C4H9OH; Butanol; Butan-1-ol; 1-Hydroxybutane; Alcool butylique; Butanolo; Butylowy alkohol; Butyric alcohol; Propylmethanol; Butanolen; 1-Butyl alcohol; Rcra waste number U031; Butanol-1; NSC 62782
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Gas phase thermochemistry data

Go To: Top, Condensed phase thermochemistry data, References, Notes

Data compiled as indicated in comments:
DRB - Donald R. Burgess, Jr.
ALS - Hussein Y. Afeefy, Joel F. Liebman, and Stephen E. Stein
GT - Glushko Thermocenter, Russian Academy of Sciences, Moscow

Quantity	Value	Units	Method	Reference	Comment
Δ_fH°_gas	-66. ± 1.	kcal/mol	AVG	N/A	Average of 13 values; Individual data points
Quantity	Value	Units	Method	Reference	Comment
S°_gas	86.515	cal/mol*K	N/A	Chao J., 1986	Other values of S(298.15 K) based on low-temperature thermal measurements are (in J/mol*K): 363.17 [65COU/HAL], 362.33 [ Chermin H.A.G., 1961], and 361.9 [ Buckley E., 1967].; GT

Constant pressure heat capacity of gas

C_p,gas (cal/mol*K)	Temperature (K)	Reference	Comment
10.17	50.	Thermodynamics Research Center, 1997	p=1 bar. Recommended S(T) and Cp(T) values agree with those calculated by [ Chermin H.A.G., 1961] within 1.5 J/molK. S(T) values calculated by [ Dyatkina M.E., 1954] are different from values given here by 12-30 J/molK. Please also see Chao J., 1986.; GT
13.94	100.
16.75	150.
19.43	200.
24.063	273.15
25.820 ± 0.060	298.15
25.951	300.
33.021	400.
39.297	500.
44.546	600.
48.956	700.
52.715	800.
55.963	900.
58.779	1000.
61.228	1100.
63.360	1200.
65.215	1300.
66.833	1400.
68.246	1500.
71.06	1750.
73.09	2000.
74.62	2250.
75.74	2500.
76.60	2750.
77.25	3000.

Constant pressure heat capacity of gas

C_p,gas (cal/mol*K)	Temperature (K)	Reference	Comment
33.68 ± 0.19	395.25	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 0.79 J/molK. The accuracy of the experimental heat capacities [ Stromsoe E., 1970] is estimated as less than 0.3%.; GT
32.954	398.15
34.18 ± 0.19	404.15
34.46 ± 0.19	409.15
33.953	413.15
35.03 ± 0.19	419.55
35.67 ± 0.19	431.05
35.234	433.15
36.23 ± 0.19	441.15
36.487	453.15
37.26 ± 0.19	459.55
38.85 ± 0.19	488.25
40.62 ± 0.19	520.05
42.06 ± 0.19	545.95
43.31 ± 0.19	568.45
45.25 ± 0.19	603.35

Condensed phase thermochemistry data

Go To: Top, Gas phase thermochemistry data, References, Notes

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	-79. ± 1.	kcal/mol	AVG	N/A	Average of 7 values; Individual data points
Quantity	Value	Units	Method	Reference	Comment
Δ_cH°_liquid	-638. ± 5.	kcal/mol	AVG	N/A	Average of 10 values; Individual data points
Quantity	Value	Units	Method	Reference	Comment
S°_liquid	53.951	cal/mol*K	N/A	Counsell, Hales, et al., 1965	DH
S°_liquid	54.49	cal/mol*K	N/A	Parks, Kelley, et al., 1929	Extrapolation below 90 K, 46.02 J/mol*K. Revision of previous data.; DH
S°_liquid	60.21	cal/mol*K	N/A	Parks, 1925	Extrapolation below 90 K, 73.81 J/mol*K.; DH

Constant pressure heat capacity of liquid

C_p,liquid (cal/mol*K)	Temperature (K)	Reference	Comment
42.271	298.15	Andreoli-Ball, Patterson, et al., 1988	DH
42.225	298.15	Gates, Wood, et al., 1986	T = 298.15 to 368.15 K.; DH
42.47	298.	Korolev, Kukharenko, et al., 1986	DH
45.94	321.05	Naziev, Bashirov, et al., 1986	T = 321.05, 349.20, 373.35 K. p = 0.1 MPa. Unsmoothed experimental datum given as 2.5934 kJ/kg*K.; DH
42.347	298.15	Ogawa and Murakami, 1986	DH
42.058	298.15	Roux-Dexgranges, Grolier, et al., 1986	DH
42.230	298.15	Tanaka, Toyama, et al., 1986	DH
42.323	298.15	Zegers and Somsen, 1984	DH
41.66	293.15	Arutyunyan, Bagdasaryan, et al., 1981	T = 293 to 373 K. p = 0.1 MPa. Unsmoothed experimental datum given as 2.351 kJ/kg*K. Cp given from 293.15 to 533.15 for pressure range 10 to 60 MPa.; DH
43.40	303.5	Griigo'ev, Yanin, et al., 1979	T = 303 to 462 K. p = 0.98 bar.; DH
42.90	301.2	Paz Andrade, Paz, et al., 1970	T = 28, 40°C.; DH
42.311	298.15	Counsell, Hales, et al., 1965	T = 11 to 323 K.; DH
45.20	323.	Swietoslawski and Zielenkiewicz, 1960	Mean value 21 to 78°C.; DH
51.51	302.6	Phillip, 1939	DH
43.81	298.	Trew and Watkins, 1933	DH
41.90	294.0	Parks, 1925	T = 90 to 294 K. Value is unsmoothed experimental datum.; DH
43.09	303.	Willams and Daniels, 1924	T = 303 to 343 K. Equation only.; DH
41.71	298.	von Reis, 1881	T = 290 to 390 K.; DH

References

Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Notes

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]

Chermin H.A.G., 1961
Chermin H.A.G., Thermo data for petrochemicals. Part 28. Gaseous normal alcohols. The important thermo properties are presented for all the gaseous normal alcohols from methanol through n-decanol, Petrol. Refiner, 1961, 40 (4), 127-130. [all data]

Buckley E., 1967
Buckley E., Chemical equilibria. Part 2. Dehydrogenation of propanol and butanol, Trans. Faraday Soc., 1967, 63, 895-901. [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]

Dyatkina M.E., 1954
Dyatkina M.E., Thermodynamic functions of normal alcohols (propanol, butanol, ethylene glycol), Zh. Fiz. Khim., 1954, 28, 377. [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, Hales, et al., 1965
Counsell, J.F.; Hales, J.L.; Martin, J.F., Thermodynamic properties of organic oxygen compounds. Part 16. Butyl alcohol, Trans. Faraday Soc., 1965, 61, 1869-1875. [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, 1925
Parks, G.S., Thermal data on organic compounds I. The heat capacities and free energies of methyl, ethyl and normal-butyl alcohols, J. Am. Chem. Soc., 1925, 47, 338-345. [all data]

Andreoli-Ball, Patterson, et al., 1988
Andreoli-Ball, L.; Patterson, D.; Costas, M.; Caceres-Alonso, M., Heat capacity and corresponding states in alkan-1-ol-n-alkane systems, J. Chem. Soc., Faraday Trans. 1, 1988, 84(11), 3991-4012. [all data]

Gates, Wood, et al., 1986
Gates, J.A.; Wood, R.H.; Cobos, J.C.; Casanova, C.; Roux, A.H.; Roux-Desgranges, G.; Grolier, J.-P.E., Densities and heat capacities of 1-butanol + n-decane from 298 K to 400 K, Fluid Phase Equilib., 1986, 27, 137-151. [all data]

Korolev, Kukharenko, et al., 1986
Korolev, V.P.; Kukharenko, V.A.; Krestov, G.A., Specific heat of binary mixtures of aliphatic alcohols with N,N-dimethylformamide and dimethylsulphoxide, Zhur. Fiz. Khim., 1986, 60, 1854-1857. [all data]

Naziev, Bashirov, et al., 1986
Naziev, Ya.M.; Bashirov, M.M.; Badalov, Yu.A., Experimental device for measurement of isobaric specific heat of electrolytes at elevated pressures, Inzh-Fiz. Zhur., 1986, 51(5), 789-795. [all data]

Ogawa and Murakami, 1986
Ogawa, H.; Murakami, S., Excess isobaric heat capacities for water + alkanol mixtures at 298.15 K, Thermochim. Acta, 1986, 109, 145-154. [all data]

Roux-Dexgranges, Grolier, et al., 1986
Roux-Dexgranges, G.; Grolier, J.-P.E.; Villamanan, M.A.; Casanova, C., Role of alcohol in microemulsions. III. Volumes and heat capacities in the continuious phase water-n-butanol-toluene of reverse micelles, Fluid Phase Equilibria, 1986, 25, 209-230. [all data]

Tanaka, Toyama, et al., 1986
Tanaka, R.; Toyama, S.; Murakami, S., Heat capacities of {xCnH2n+1OH+(1-x)C7H16} for n = 1 to 6 at 298.15 K, J. Chem. Thermodynam., 1986, 18, 63-73. [all data]

Zegers and Somsen, 1984
Zegers, H.C.; Somsen, G., Partial molar volumes and heat capacities in (dimethylformamide + an n-alkanol), J. Chem. Thermodynam., 1984, 16, 225-235. [all data]

Arutyunyan, Bagdasaryan, et al., 1981
Arutyunyan, G.S.; Bagdasaryan, S.S.; Kerimov, A.M., Experimental investigation of the isobaric heat capacity of n-propyl, n-butyl and n-amyl alcohols at different temperatures and pressures, Izv. Akad. Nauk Azerb. SSr, 1981, (6), 94-97. [all data]

Griigo'ev, Yanin, et al., 1979
Griigo'ev, B.A.; Yanin, G.S.; Rastorguev, Yu.L.; Thermophysical parameters of alcohols, Tr. GIAP, 54, 1979, 57-64. [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]

Phillip, 1939
Phillip, N.M., Adiabatic and isothermal compressibilities of liquids, Proc. Indian Acad. Sci., 1939, A9, 109-120. [all data]

Trew and Watkins, 1933
Trew, V.C.G.; Watkins, G.M.C., Some physical properties of mixtures of certain organic liquids, Trans. Faraday Soc., 1933, 29, 1310-1318. [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]

von Reis, 1881
von Reis, M.A., Die specifische Wärme flüssiger organischer Verbindungen und ihre Beziehung zu deren Moleculargewicht, Ann. Physik [3], 1881, 13, 447-464. [all data]

Notes

Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, References

Symbols used in this document:

C_p,gas	Constant pressure heat capacity of gas
C_p,liquid	Constant pressure heat capacity of liquid
S°_gas	Entropy of gas at standard conditions
S°_liquid	Entropy of liquid at standard conditions
Δ_cH°_liquid	Enthalpy of combustion of liquid at standard conditions
Δ_fH°_gas	Enthalpy of formation of gas 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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