Butane, 1,4-dichloro-
- Formula: C4H8Cl2
- Molecular weight: 127.012
- IUPAC Standard InChIKey: KJDRSWPQXHESDQ-UHFFFAOYSA-N
- CAS Registry Number: 110-56-5
- 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: 1,4-Dichlorobutane; Tetramethylene chloride
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Gas phase thermochemistry data
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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°gas | -183.4 ± 1.9 | kJ/mol | Ccb | An, He, et al., 1990 |
Condensed phase thermochemistry data
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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:
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 |
---|---|---|---|---|---|
ΔfH°liquid | -229.8 ± 1.9 | kJ/mol | Ccb | An, He, et al., 1990 | ALS |
ΔfH°liquid | -229.5 | kJ/mol | Eqk | Cherkasova, Rozhnov, et al., 1974 | ALS |
Quantity | Value | Units | Method | Reference | Comment |
ΔcH°liquid | -2534.8 ± 1.9 | kJ/mol | Ccb | An, He, et al., 1990 | ALS |
Constant pressure heat capacity of liquid
Cp,liquid (J/mol*K) | Temperature (K) | Reference | Comment |
---|---|---|---|
184.0 | 298.15 | Hallen, 1993 | DH |
183.59 | 298.15 | Lainez, Wilhelm, et al., 1985 | DH |
Phase change data
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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 | 410. ± 80. | K | AVG | N/A | Average of 12 values; Individual data points |
Quantity | Value | Units | Method | Reference | Comment |
Tfus | 234.5 | K | N/A | Timmermans, 1922 | Uncertainty assigned by TRC = 0.4 K; TRC |
Quantity | Value | Units | Method | Reference | Comment |
ΔvapH° | 46.4 ± 0.2 | kJ/mol | AVG | N/A | Average of 8 values; Individual data points |
Enthalpy of vaporization
ΔvapH (kJ/mol) | Temperature (K) | Method | Reference | Comment |
---|---|---|---|---|
43.4 | 351. | A | Stephenson and Malanowski, 1987 | Based on data from 336. to 425. K. See also Dykyj, 1971.; AC |
Reaction thermochemistry data
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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
Note: Please consider using the reaction search for this species. This page allows searching of all reactions involving this species. A general reaction search form is also available. Future versions of this site may rely on reaction search pages in place of the enumerated reaction displays seen below.
Individual Reactions
By formula: C4H8Cl2 = C4H8Cl2
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | -9.9 ± 1.3 | kJ/mol | Eqk | Cherkasova, Rozhnov, et al., 1974 | gas phase |
By formula: C4H8Cl2 = C4H8Cl2
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | -2.7 ± 0.67 | kJ/mol | Eqk | Cherkasova, Rozhnov, et al., 1974 | gas phase |
Gas phase ion energetics data
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Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
Data compiled by: Sharon G. Lias, Rhoda D. Levin, and Sherif A. Kafafi
Ionization energy determinations
IE (eV) | Method | Reference |
---|---|---|
11.03 | PE | Baker, Betteridge, et al., 1971 |
IR Spectrum
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Data compiled by: Coblentz Society, Inc.
Data compiled by: NIST Mass Spectrometry Data Center, William E. Wallace, director
References
Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Phase change data, Reaction thermochemistry data, Gas phase ion energetics data, IR Spectrum, Notes
Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
An, He, et al., 1990
An, X.; He, J.; Hu, R.,
Study on the electrostatic interaction in organic chlorocompounds. Enthalpies of compustion and formation of 1,3- and 1,4-dichlorobutanes,
Thermochim. Acta, 1990, 169, 331-337. [all data]
Cherkasova, Rozhnov, et al., 1974
Cherkasova, R.I.; Rozhnov, A.M.; Nesterova, T.N.,
Equilibrium of isomerization of 1,2-, 1,3-, and 1,4-dichlorobutanes,
Russ. J. Phys. Chem. (Engl. Transl.), 1974, 48, 143. [all data]
Hallen, 1993
Hallen, D.,
Enthalpies of solution and heat capacities for some a,w-dichloroalkanes in water,
J. Chem. Thermodynam., 1993, 25, 519-524. [all data]
Lainez, Wilhelm, et al., 1985
Lainez, A.; Wilhelm, E.; Roux-Desgranges, G.; Grolier, J.-P.E.,
Excess molar quantities of (a halogenated n-alkane + an n-alkane). A comparative study of mixtures containing either 1-chlorobutane or 1,4-dichlorobutane,
J. Chem. Thermodynam., 1985, 17, 1153-1161. [all data]
Timmermans, 1922
Timmermans, J.,
Investigation of the Freezing Point of Organic Substances VII,
Bull. Soc. Chim. Belg., 1922, 31, 389. [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]
Dykyj, 1971
Dykyj, J.,
Petrochemia, 1971, 11, 2, 27. [all data]
Baker, Betteridge, et al., 1971
Baker, A.D.; Betteridge, D.; Kemp, N.R.; Kirby, R.E.,
Application of photoelectron spectrometry to pesticide analysis. II.Photoelectron spectra of hydroxy-, and halo-alkanes and halohydrins,
Anal. Chem., 1971, 43, 375. [all data]
Notes
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- Symbols used in this document:
Cp,liquid Constant pressure heat capacity of liquid Tboil Boiling point Tfus Fusion (melting) point ΔcH°liquid Enthalpy of combustion of liquid at standard conditions ΔfH°gas Enthalpy of formation of gas at standard conditions ΔfH°liquid Enthalpy of formation of liquid at standard conditions ΔrH° Enthalpy of reaction 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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