Butane, 1,4-dichloro-

• Formula: C₄H₈Cl₂
• Molecular weight: 127.012
• IUPAC Standard InChI: InChI=1S/C4H8Cl2/c5-3-1-2-4-6/h1-4H2 Copy

  
• IUPAC Standard InChIKey: KJDRSWPQXHESDQ-UHFFFAOYSA-N Copy
• 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
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• Other names: 1,4-Dichlorobutane; Tetramethylene chloride
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• Information on this page:
  • Condensed phase thermochemistry data
  • Henry's Law data
  • Gas phase ion energetics data
  • References
  • Notes
• Other data available:
  • Gas phase thermochemistry data
  • Phase change data
  • Reaction thermochemistry data
  • IR Spectrum
  • Mass spectrum (electron ionization)
  • Gas Chromatography
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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

Constant pressure heat capacity of liquid

Henry's Law 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: Rolf Sander

Henry's Law constant (water solution)

k_H(T) = k°_H exp(d(ln(k_H))/d(1/T) ((1/T) - 1/(298.15 K)))
k°_H = Henry's law constant for solubility in water at 298.15 K (mol/(kg*bar))
d(ln(k_H))/d(1/T) = Temperature dependence constant (K)

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

References

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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]

Leighton and Calo, 1981
Leighton, D.T.; Calo, J.M., Distribution Coefficients of Chlorinated Hydrocarbons in Dilute Air-Water Systems for Groundwater Contamination Applications, J. Chem. Eng. Data, 1981, 26, 382-385. [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
  d(ln(kH))/d(1/T)	Temperature dependence parameter for Henry's Law constant
  k°H	Henry's Law constant at 298.15K
  ΔcH°liquid	Enthalpy of combustion of liquid at standard conditions
  ΔfH°liquid	Enthalpy of formation of liquid at standard conditions

• Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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