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Benzenamine, 3-chloro-4-methyl-

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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 as indicated in comments:
ALS - Hussein Y. Afeefy, Joel F. Liebman, and Stephen E. Stein

Quantity Value Units Method Reference Comment
Deltafgas17.kJ/molSemiStewart, 2004 
Deltafgas75.3 ± 7.1kJ/molCcbZhuravlev, Melent'eva, et al., 1980ALS

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 by: Hussein Y. Afeefy, Joel F. Liebman, and Stephen E. Stein

Quantity Value Units Method Reference Comment
Deltafliquid23. ± 6.7kJ/molCcbZhuravlev, Melent'eva, et al., 1980 
Quantity Value Units Method Reference Comment
Deltacliquid-3607. ± 6.7kJ/molCcbZhuravlev, Melent'eva, et al., 1980 

References

Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Notes

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

Stewart, 2004
Stewart, J.J.P., Comparison of the accuracy of semiempirical and some DFT methods for predicting heats of formation, J. Mol. Model, 2004, 10, 1, 6-10, https://doi.org/10.1007/s00894-003-0157-6 . [all data]

Zhuravlev, Melent'eva, et al., 1980
Zhuravlev, E.Z.; Melent'eva, T.I.; Mulyanov, N.B.; Kormushehkina, A.I.; Konstantinov, I.I., Physicochemical properties of 3-chloro-4-methylphenyl isocyanate, Deposited Document, SPSTL 651 Khp-D80. Chem. Abst. 97-12145s, 1980, 1-15. [all data]


Notes

Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, References