3-Chloroheptane

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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

Heptane, 4-chloro- = 3-Chloroheptane

By formula: C7H15Cl = C7H15Cl

Quantity Value Units Method Reference Comment
Δr-0.055 ± 0.025kcal/molEqkKabo, Andreevskii, et al., 1967gas phase; Heat of isomerization

Heptane, 2-chloro- = 3-Chloroheptane

By formula: C7H15Cl = C7H15Cl

Quantity Value Units Method Reference Comment
Δr0.035kcal/molCisoRoganov, Kabo, et al., 1969liquid 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
PackedApiezon L100.943.Castello and D'Amato, 1986 
PackedApiezon L125.960.Castello and D'Amato, 1986 
PackedApiezon L75.945.Castello and D'Amato, 1986 
CapillaryApiezon L90.906.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
PackedCarbowax 20M100.1057.Castello and D'Amato, 1986He, Chromosorb W AW DMC; Column length: 3. m
PackedCarbowax 20M125.1074.Castello and D'Amato, 1986He, Chromosorb W AW DMC; Column length: 3. m
PackedCarbowax 20M75.1057.Castello and D'Amato, 1986He, Chromosorb W AW DMC; Column length: 3. m
CapillaryPEG-20M90.1069.Morishita, Terashima, et al., 1983He; Column length: 75. m; Column diameter: 0.25 mm
PackedPEG-20M130.1078.Jaworski and Zolna, 1982Chromosorb W; Column length: 2.8 m

Kovats' RI, polar column, temperature ramp

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Column type Active phase I Reference Comment
PackedPEG-20M1076.Jaworski and Zolna, 1982Chromosorb W, 6. K/min; Column length: 2.8 m; Tstart: 110. C; Tend: 200. C

Normal alkane RI, non-polar column, isothermal

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Column type Active phase Temperature (C) I Reference Comment
CapillaryApiezon L130.906.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.

Kabo, Andreevskii, et al., 1967
Kabo, G.Ya.; Andreevskii, D.N.; Savinetskaya, G.A., Isomerization equilibrium of n-monochloroheptanes and n-heptenes, Neftekhimiya, 1967, 7, 364-368. [all data]

Roganov, Kabo, et al., 1969
Roganov, G.N.; Kabo, G.Ya.; Adreevskii, D.N., Additivity of thermochemical properties for isomers of secondary n-alkane chlorides (C5-C10), J. Org. Chem. USSR (Engl. Transl.), 1969, 5, 2037-2041. [all data]

Castello and D'Amato, 1986
Castello, G.; D'Amato, G., Gas chromatographic separation and identification of linear and branched-chain alkyl chlorides, J. Chromatogr., 1986, 354, 65-74, https://doi.org/10.1016/S0021-9673(01)87011-4 . [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]

Jaworski and Zolna, 1982
Jaworski, M.; Zolna, H., Oznaczanie alkanów, monochloroalkanów i polichloroalkanów metoda chromatografii gazowej, Chem. Anal. (Warsaw), 1982, 27, 97-105. [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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