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1,3-Dichlorohexane


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

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Individual Reactions

1,3-Dichlorohexane = 1,4-Dichlorohexane

By formula: C6H12Cl2 = C6H12Cl2

Quantity Value Units Method Reference Comment
Deltar-0.53 ± 0.03kcal/molEqkRozhnov, Cherkasova, et al., 1975liquid phase

Gas Chromatography

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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: NIST Mass Spectrometry Data Center, William E. Wallace, director

Kovats' RI, non-polar column, isothermal

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Column type Active phase Temperature (C) I Reference Comment
CapillaryApiezon L90.1028.Morishita, Terashima, et al., 1983He; Column length: 45. m; Column diameter: 0.25 mm

Kovats' RI, polar column, isothermal

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Column type Active phase Temperature (C) I Reference Comment
CapillaryPEG-20M90.1347.Morishita, Terashima, et al., 1983He; Column length: 75. m; Column diameter: 0.25 mm

Normal alkane RI, non-polar column, isothermal

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Column type Active phase Temperature (C) I Reference Comment
CapillaryApiezon L130.1028.Arruda, Junkes, et al., 2008 

References

Go To: Top, Reaction thermochemistry data, Gas Chromatography, Notes

Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.

Rozhnov, Cherkasova, et al., 1975
Rozhnov, A.M.; Cherkasova, R.I.; Sharonov, K.G., Equilibrium of isomerization of 1,3-; 1,4-; 1,5-dichlorohexanes and heats of formation of dichloroalkanes, Zh. Fiz. Khim., 1975, 49, 1338. [all data]

Morishita, Terashima, et al., 1983
Morishita, F.; Terashima, Y.; Ichise, M.; Kojima, T., Prediction of retention indices from molecular structures of chlorinated alkanes, J. Chromatogr. Sci., 1983, 21, 5, 209-213, https://doi.org/10.1093/chromsci/21.5.209 . [all data]

Arruda, Junkes, et al., 2008
Arruda, A.C.S.; Junkes, B. da.S.; Souza, E.S.; Yunes, R.A.; Heizen, V.E.F., Semi-Emlirical Topological Index to Predict Properties of Halogenated Aliphatic Compounds, J. Chemometrics, 2008, 22, 3-4, 186-194, https://doi.org/10.1002/cem.1121 . [all data]


Notes

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