Hexane, 1-chloro-

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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
Tboil407.7KN/AWeast and Grasselli, 1989BS
Tboil408.22KN/APaul, Krug, et al., 1988Uncertainty assigned by TRC = 0.08 K; TRC
Tboil408.1KN/AMajer and Svoboda, 1985 
Tboil407.45KN/AMumford and Phillips, 1950Uncertainty assigned by TRC = 0.3 K; TRC
Quantity Value Units Method Reference Comment
Tfus179.15KN/ATimmermans, 1952Uncertainty assigned by TRC = 1.2 K; TRC
Quantity Value Units Method Reference Comment
Tc594.6KN/AMajer and Svoboda, 1985 
Quantity Value Units Method Reference Comment
Δvap10.2 ± 0.1kcal/molAVGN/AAverage of 6 values; Individual data points

Enthalpy of vaporization

ΔvapH (kcal/mol) Temperature (K) Method Reference Comment
8.525408.1N/AMajer and Svoboda, 1985 
9.82334.N/ACabezas, Barcena, et al., 1988Based on data from 319. to 376. K.; AC
10.4303.A,DTAStephenson and Malanowski, 1987Based on data from 288. to 409. K. See also Kemme and Kreps, 1969 and Dykyj, 1972.; AC
9.68 ± 0.02328.CTekac, Majer, et al., 1981AC
9.56 ± 0.02343.CTekac, Majer, et al., 1981AC
9.32 ± 0.02358.CTekac, Majer, et al., 1981AC
9.18 ± 0.02368.CTekac, Majer, et al., 1981AC

Enthalpy of vaporization

ΔvapH = A exp(-βTr) (1 − Tr)β
    ΔvapH = Enthalpy of vaporization (at saturation pressure) (kcal/mol)
    Tr = reduced temperature (T / Tc)

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Temperature (K) A (kcal/mol) β Tc (K) Reference Comment
298. to 368.14.350.2824594.6Majer and Svoboda, 1985 

Antoine Equation Parameters

log10(P) = A − (B / (T + C))
    P = vapor pressure (atm)
    T = temperature (K)

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Temperature (K) A B C Reference
288. to 408.83.888051304.968-73.092Kemme and Kreps, 1969

In addition to the Thermodynamics Research Center (TRC) data available from this site, much more physical and chemical property data is available from the following TRC products:


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 and Joel F. Liebman

Ionization energy determinations

IE (eV) Method Reference
10.31ESTLuo and Pacey, 1992
10.28 ± 0.05EIHolmes and Lossing, 1991

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.

Weast and Grasselli, 1989
CRC Handbook of Data on Organic Compounds, 2nd Editon, Weast,R.C and Grasselli, J.G., ed(s)., CRC Press, Inc., Boca Raton, FL, 1989, 1. [all data]

Paul, Krug, et al., 1988
Paul, H.-I.; Krug, J.; Knapp, H., Measurements of VLE, vE, and hE for binary mixtures of 1-chlorohexane with three n-alkylbenzenes: toluene, ethylbenzene, n-propylbenzene, J. Chem. Eng. Data, 1988, 33, 453. [all data]

Majer and Svoboda, 1985
Majer, V.; Svoboda, V., Enthalpies of Vaporization of Organic Compounds: A Critical Review and Data Compilation, Blackwell Scientific Publications, Oxford, 1985, 300. [all data]

Mumford and Phillips, 1950
Mumford, S.A.; Phillips, J.W.C., 19. The Physical Properties of Some Aliphatic Compounds, J. Chem. Soc., 1950, 1950, 75-84. [all data]

Timmermans, 1952
Timmermans, J., Freezing points of organic compounds. VVI New determinations., Bull. Soc. Chim. Belg., 1952, 61, 393. [all data]

Cabezas, Barcena, et al., 1988
Cabezas, Jose L.; Barcena, Lucas A.; Coca, Jose; Cockrem, Michael, Extraction of furfural from aqueous solutions using alcohols, J. Chem. Eng. Data, 1988, 33, 4, 435-437, https://doi.org/10.1021/je00054a014 . [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]

Kemme and Kreps, 1969
Kemme, Herbert R.; Kreps, Saul I., Vapor pressure of primary n-alkyl chlorides and alcohols, J. Chem. Eng. Data, 1969, 14, 1, 98-102, https://doi.org/10.1021/je60040a011 . [all data]

Dykyj, 1972
Dykyj, J., Petrochemia, 1972, 12, 1, 13. [all data]

Tekac, Majer, et al., 1981
Tekac, V.; Majer, V.; Svoboda, V.; Hynek, V., Enthalpies of vaporization and cohesive energies for six monochlorinated alkanes, J. Chem. Thermodyn., 1981, 13, 659-662. [all data]

Luo and Pacey, 1992
Luo, Y.-R.; Pacey, P.D., Effects of alkyl substitution on ionization energies of alkanes and haloalkanes and on heats of formation of their molecular cations. Part 2. Alkanes and chloro-, bromo- and iodoalkanes, Int. J. Mass Spectrom. Ion Processes, 1992, 112, 63. [all data]

Holmes and Lossing, 1991
Holmes, J.L.; Lossing, F.P., Ionization energies of homologous organic compounds and correlation with molecular size, Org. Mass Spectrom., 1991, 26, 537. [all data]


Notes

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