Butane, 1-nitro-
- Formula: C4H9NO2
- Molecular weight: 103.1198
- IUPAC Standard InChIKey: NALZTFARIYUCBY-UHFFFAOYSA-N
- CAS Registry Number: 627-05-4
- 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: 1-Nitrobutane; n-C4H9NO2; Nitro-butane
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Condensed phase thermochemistry data
Go To: Top, Phase change data, References, Notes
Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
Data compiled by: Hussein Y. Afeefy, Joel F. Liebman, and Stephen E. Stein
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔfH°liquid | -192.6 ± 1.3 | kJ/mol | Ccb | Holcomb and Dorsey, 1949 | |
Quantity | Value | Units | Method | Reference | Comment |
ΔcH°liquid | -2667.8 ± 1.3 | kJ/mol | Ccb | Holcomb and Dorsey, 1949 |
Phase change data
Go To: Top, Condensed phase thermochemistry data, References, Notes
Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
Data compiled as indicated in comments:
BS - Robert L. Brown and Stephen E. Stein
TRC - Thermodynamics Research Center, NIST Boulder Laboratories, Chris Muzny director
AC - William E. Acree, Jr., James S. Chickos
ALS - Hussein Y. Afeefy, Joel F. Liebman, and Stephen E. Stein
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
Tboil | 426.2 | K | N/A | Weast and Grasselli, 1989 | BS |
Tboil | 425.92 | K | N/A | Toops, 1956 | Uncertainty assigned by TRC = 0.06 K; TRC |
Tboil | 427.05 | K | N/A | Miller and Angel, 1946 | Uncertainty assigned by TRC = 0.5 K; TRC |
Tboil | 426.1 | K | N/A | Hodge, 1940 | Uncertainty assigned by TRC = 0.7 K; TRC |
Quantity | Value | Units | Method | Reference | Comment |
Tfus | 191.82 | K | N/A | Toops, 1956 | Uncertainty assigned by TRC = 0.05 K; TRC |
Quantity | Value | Units | Method | Reference | Comment |
ΔvapH° | 47.0 | kJ/mol | CGC | Chickos, Hosseini, et al., 1995 | Based on data from 313. to 353. K.; AC |
ΔvapH° | 48.58 ± 0.50 | kJ/mol | V | Holcomb and Dorsey, 1949 | ALS |
Enthalpy of vaporization
ΔvapH (kJ/mol) | Temperature (K) | Method | Reference | Comment |
---|---|---|---|---|
42.7 | 372. | A,EB | Stephenson and Malanowski, 1987 | Based on data from 357. to 426. K. See also Toops, 1956, 2 and Dykyj, 1971.; AC |
References
Go To: Top, Condensed phase thermochemistry data, Phase change data, Notes
Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
Holcomb and Dorsey, 1949
Holcomb, D.E.; Dorsey, C.L., Jr.,
Thermodynamic properties of nitroparaffins,
Ind. Eng. Chem., 1949, 41, 2788-2792. [all data]
Weast and Grasselli, 1989
CRC Handbook of Data on Organic Compounds, 2nd Editon, Weast,R.C and Grasselli, J.G., ed(s)., CRC Press, Inc., Boca Raton, FL, 1989, 1. [all data]
Toops, 1956
Toops, E.E.,
Physical Properties of High Purity Nitroparaffins,
J. Phys. Chem., 1956, 60, 304-6. [all data]
Miller and Angel, 1946
Miller, J.G.; Angel, H.S.,
The Dipole Moment of 1-Nitrobutane.,
J. Am. Chem. Soc., 1946, 68, 2358-9. [all data]
Hodge, 1940
Hodge, E.B.,
Vapor pressures for six aliphatic nitro compounds,
Ind. Eng. Chem., 1940, 32, 748. [all data]
Chickos, Hosseini, et al., 1995
Chickos, James S.; Hosseini, Sarah; Hesse, Donald G.,
Determination of vaporization enthalpies of simple organic molecules by correlations of changes in gas chromatographic net retention times,
Thermochimica Acta, 1995, 249, 41-62, https://doi.org/10.1016/0040-6031(95)90670-3
. [all data]
Stephenson and Malanowski, 1987
Stephenson, Richard M.; Malanowski, Stanislaw,
Handbook of the Thermodynamics of Organic Compounds, 1987, https://doi.org/10.1007/978-94-009-3173-2
. [all data]
Toops, 1956, 2
Toops, Emory E.,
Physical Properties of Eight High-Purity Nitroparaffins,
J. Phys. Chem., 1956, 60, 3, 304-306, https://doi.org/10.1021/j150537a012
. [all data]
Dykyj, 1971
Dykyj, J.,
Petrochemia, 1971, 11, 2, 27. [all data]
Notes
Go To: Top, Condensed phase thermochemistry data, Phase change data, References
- Symbols used in this document:
Tboil Boiling point Tfus Fusion (melting) point ΔcH°liquid Enthalpy of combustion of liquid at standard conditions ΔfH°liquid Enthalpy of formation of liquid at standard conditions ΔvapH Enthalpy of vaporization ΔvapH° Enthalpy of vaporization at standard conditions - Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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