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
The 3d structure may be viewed using Java or Javascript.
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
Permanent link for this species. Use this link for bookmarking this species for future reference.
Information on this page:
Other data available:
Data at other public NIST sites:
- Computational Chemistry Comparison and Benchmark Database
- Gas Phase Kinetics Database
Options:
- Switch to SI units

Data at NIST subscription sites:

NIST subscription sites provide data under the NIST Standard Reference Data Program, but require an annual fee to access. The purpose of the fee is to recover costs associated with the development of data collections included in such sites. Your institution may already be a subscriber. Follow the links above to find out more about the data in these sites and their terms of usage.

Enthalpy of formation of gas at standard conditions (nominally 298.15 K, 1 atm.)

Go To: Top, References, Notes

Data compiled as indicated in comments:
DRB - Donald R. Burgess, Jr.
ALS - Hussein Y. Afeefy, Joel F. Liebman, and Stephen E. Stein

Δ_fH°_gas (kcal/mol)	Method	Reference	Comment
-65.87	N/A	Mosselman and Dekker, 1975	Value computed using Δ_fH_liquid° value of -327.0±0.2 kj/mol from Mosselman and Dekker, 1975 and Δ_vapH° value of 51.4 kj/mol from Skinner and Snelson, 1960.; DRB
-65.65 ± 0.07	Ccb	Mosselman and Dekker, 1975	Value computed using Δ_fH_liquid° from Mosselman and Dekker, 1975 and Δ_vapH° value of 12.5 kcal/mol from Wadso, 1966.; DRB
-65.79 ± 0.13	Ccb	Gundry, Harrop, et al., 1969	ALS
-65.92	N/A	Mosselman and Dekker, 1969	Value computed using Δ_fH_liquid° value of -327.2±0.2 kj/mol from Mosselman and Dekker, 1969 and Δ_vapH° value of 51.4 kj/mol from Skinner and Snelson, 1960.; DRB
-65.70 ± 0.07	Ccb	Mosselman and Dekker, 1969	Value computed using Δ_fH_liquid° from Mosselman and Dekker, 1969 and Δ_vapH° value of 12.5 kcal/mol from Wadso, 1966.; DRB
-65.58	N/A	Chao and Rossini, 1965	Value computed using Δ_fH_liquid° value of -325.8±0.7 kj/mol from Chao and Rossini, 1965 and Δ_vapH° value of 51.4 kj/mol from Skinner and Snelson, 1960.; DRB
-65.4 ± 0.2	Ccb	Chao and Rossini, 1965	Value computed using Δ_fH_liquid° from Chao and Rossini, 1965 and Δ_vapH° value of 12.5 kcal/mol from Wadso, 1966.; DRB
-66.92 ± 0.22	Ccb	Green, 1960	ALS
-66.1 ± 0.35	Ccb	Skinner and Snelson, 1960	ALS
-67.26	N/A	Tjebbes, 1960	Value computed using Δ_fH_liquid° value of -332.8±0.4 kj/mol from Tjebbes, 1960 and Δ_vapH° value of 51.4 kj/mol from Skinner and Snelson, 1960.; DRB
-67.04 ± 0.1	Ccb	Tjebbes, 1960	Value computed using Δ_fH_liquid° from Tjebbes, 1960 and Δ_vapH° value of 12.5 kcal/mol from Wadso, 1966.; DRB
-66.49	N/A	Parks, 1925	Value computed using Δ_fH_liquid° value of -329.6 kj/mol from Parks, 1925 and Δ_vapH° value of 51.4 kj/mol from Skinner and Snelson, 1960.; DRB
-66.28 ± 0.72	Ccb	Parks, 1925	Value computed using Δ_fH_liquid° from Parks, 1925 and Δ_vapH° value of 12.5 kcal/mol from Wadso, 1966. estimated uncertainty; DRB

References

Go To: Top, Enthalpy of formation of gas at standard conditions (nominally 298.15 K, 1 atm.), Notes

Mosselman and Dekker, 1975
Mosselman, C.; Dekker, H., Enthalpies of formation of n-alkan-1-ols, J. Chem. Soc. Faraday Trans. 1, 1975, 417-424. [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]

Wadso, 1966
Wadso, I., Acta Chem. Scand., 1966, 20, 544. [all data]

Gundry, Harrop, et al., 1969
Gundry, H.A.; Harrop, D.; Head, A.J.; Lewis, G.B., Thermodynamic properties of organic oxygen compounds. 21. Enthalpies of combustion of benzoic acid, pentan-1-ol, octan-1-ol, and hexadecan-1-ol, J. Chem. Thermodyn., 1969, 1, 321-332. [all data]

Mosselman and Dekker, 1969
Mosselman, C.; Dekker, H., A new method for handling volatile and hygroscopic substances in bomb calorimetry enthalpy of formation of liquid butanol, Recl. Trav. Chim. Pays-Bas, 1969, 257-261. [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]

Green, 1960
Green, J.H.S., Revision of the values of the heats of formation of normal alcohols, Chem. Ind. (London), 1960, 1215-1216. [all data]

Tjebbes, 1960
Tjebbes, J., Heats of combustion of butannal and some related compounds, Acta Chem. Scand., 1960, 14, 180-188. [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]

Notes

Go To: Top, Enthalpy of formation of gas at standard conditions (nominally 298.15 K, 1 atm.), References

Symbols used in this document:

Δ_fH°_gas Enthalpy of formation of gas at standard conditions
Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
The National Institute of Standards and Technology (NIST) uses its best efforts to deliver a high quality copy of the Database and to verify that the data contained therein have been selected on the basis of sound scientific judgment. However, NIST makes no warranties to that effect, and NIST shall not be liable for any damage that may result from errors or omissions in the Database.
Customer support for NIST Standard Reference Data products.