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:
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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

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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	-277. ± 5.	kJ/mol	AVG	N/A	Average of 13 values; Individual data points
Quantity	Value	Units	Method	Reference	Comment
S°_gas	361.98	J/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 (J/mol*K)	Temperature (K)	Reference	Comment
42.54	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
58.33	100.
70.10	150.
81.28	200.
100.68	273.15
108.03 ± 0.25	298.15
108.58	300.
138.16	400.
164.42	500.
186.38	600.
204.83	700.
220.56	800.
234.15	900.
245.93	1000.
256.18	1100.
265.10	1200.
272.86	1300.
279.63	1400.
285.54	1500.
297.3	1750.
305.8	2000.
312.2	2250.
316.9	2500.
320.5	2750.
323.2	3000.

Constant pressure heat capacity of gas

C_p,gas (J/mol*K)	Temperature (K)	Reference	Comment
140.93 ± 0.79	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
137.88	398.15
143.00 ± 0.79	404.15
144.16 ± 0.79	409.15
142.06	413.15
146.58 ± 0.79	419.55
149.26 ± 0.79	431.05
147.42	433.15
151.60 ± 0.79	441.15
152.66	453.15
155.88 ± 0.79	459.55
162.55 ± 0.79	488.25
169.95 ± 0.79	520.05
175.97 ± 0.79	545.95
181.20 ± 0.79	568.45
189.31 ± 0.79	603.35

References

Go To: Top, Gas 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]

Notes

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Symbols used in this document:

C_p,gas Constant pressure heat capacity of gas

S°_gas Entropy of gas at standard conditions

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
S°_gas	Entropy of gas at standard conditions
Δ_fH°_gas	Enthalpy of formation of gas at standard conditions