Butane, 2-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
ALS - Hussein Y. Afeefy, Joel F. Liebman, and Stephen E. Stein
AC - William E. Acree, Jr., James S. Chickos

Quantity Value Units Method Reference Comment
Tboil341.3 ± 0.8KAVGN/AAverage of 8 values; Individual data points
Quantity Value Units Method Reference Comment
Tfus141.85KN/ATimmermans and Martin, 1928Uncertainty assigned by TRC = 0.5 K; racemic; TRC
Quantity Value Units Method Reference Comment
Tc520.6KN/AMajer and Svoboda, 1985 
Quantity Value Units Method Reference Comment
Δvap31. ± 2.kJ/molAVGN/AAverage of 7 values; Individual data points

Enthalpy of vaporization

ΔvapH (kJ/mol) Temperature (K) Method Reference Comment
29.17341.4N/AMajer and Svoboda, 1985 
30.9328.EBDahmani, Wichterle, et al., 1996Based on data from 315. to 341. K.; AC
33.1281.AStephenson and Malanowski, 1987Based on data from 266. to 377. K.; AC
30.7 ± 0.1313.CTekac, Majer, et al., 1981AC
29.9 ± 0.1328.CTekac, Majer, et al., 1981AC
29.1 ± 0.1343.CTekac, Majer, et al., 1981AC
28.2 ± 0.1358.CTekac, Majer, et al., 1981AC
31.8288.N/ARoland, 1928Based on data from 273. to 312. K. See also Boublik, Fried, et al., 1984.; AC

Antoine Equation Parameters

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

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Temperature (K) A B C Reference Comment
273.47 to 313.004.006671190.334-44.082Roland, 1928, 2Coefficents calculated by NIST from author's data.

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

Go To: Top, Phase change data, References, Notes

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

Data evaluated as indicated in comments:
L - Sharon G. Lias

Data compiled as indicated in comments:
LL - Sharon G. Lias and Joel F. Liebman
LLK - Sharon G. Lias, Rhoda D. Levin, and Sherif A. Kafafi
RDSH - Henry M. Rosenstock, Keith Draxl, Bruce W. Steiner, and John T. Herron

Quantity Value Units Method Reference Comment
IE (evaluated)10.57 ± 0.06eVN/AN/AL

Ionization energy determinations

IE (eV) Method Reference Comment
10.59ESTLuo and Pacey, 1992LL
10.53PITraeger, 1981LLK
10.5 ± 0.1EIBaldwin, Maccoll, et al., 1964RDSH
10.65 ± 0.03PIWatanabe, Nakayama, et al., 1962RDSH
10.72PEKimura, Katsumata, et al., 1981Vertical value; LLK

Appearance energy determinations

Ion AE (eV) Other Products MethodReferenceComment
C4H8+10.41 ± 0.08HClEIMaccoll and Mathur, 1980LLK
C4H8+10.71HClEIBaldwin, Maccoll, et al., 1966RDSH
C4H9+10.73ClPITraeger, 1981LLK
C4H9+10.99 ± 0.05ClEIBaldwin, Maccoll, et al., 1966RDSH

References

Go To: Top, Phase change data, Gas phase ion energetics data, Notes

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

Timmermans and Martin, 1928
Timmermans, J.; Martin, F., Study of the Physical Constants of Twenty Organic Compounds of the Physical Constants of Twenty Organic Compounds, J. Chim. Phys. Phys.-Chim. Biol., 1928, 25, 411. [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]

Dahmani, Wichterle, et al., 1996
Dahmani, Omar; Wichterle, Ivan; Ait-Kaci, Ahmed, Isothermal vapour-liquid equilibria for binary systems of chloroalkanes with heptane, toluene and methylcyclohexane at 323.15 and 333.15 K, Fluid Phase Equilibria, 1996, 124, 1-2, 135-146, https://doi.org/10.1016/S0378-3812(96)03106-8 . [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]

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]

Roland, 1928
Roland, M., Bull. Soc. Chim. Belg., 1928, 37, 117. [all data]

Boublik, Fried, et al., 1984
Boublik, T.; Fried, V.; Hala, E., The Vapour Pressures of Pure Substances: Selected Values of the Temperature Dependence of the Vapour Pressures of Some Pure Substances in the Normal and Low Pressure Region, 2nd ed., Elsevier, New York, 1984, 972. [all data]

Roland, 1928, 2
Roland, M.M., Determination Experimentale de l'activite Thermodynamique des Composants de Melanges Binaires de Composes Organiques, Bull. Soc. Chim. Belg., 1928, 37, 117-140. [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]

Traeger, 1981
Traeger, J.C., Heat of formation of sec-butyl cation in the gas phase, Org. Mass Spectrom., 1981, 16, 193. [all data]

Baldwin, Maccoll, et al., 1964
Baldwin, M.; Maccoll, A.; Miller, S.I., Appearance potentials of the lower chloroalkanes, J. Am. Chem. Soc., 1964, 86, 4498. [all data]

Watanabe, Nakayama, et al., 1962
Watanabe, K.; Nakayama, T.; Mottl, J., Ionization potentials of some molecules, J. Quant. Spectry. Radiative Transfer, 1962, 2, 369. [all data]

Kimura, Katsumata, et al., 1981
Kimura, K.; Katsumata, S.; Achiba, Y.; Yamazaki, T.; Iwata, S., Ionization energies, Ab initio assignments, and valence electronic structure for 200 molecules in Handbook of HeI Photoelectron Spectra of Fundamental Organic Compounds, Japan Scientific Soc. Press, Tokyo, 1981. [all data]

Maccoll and Mathur, 1980
Maccoll, A.; Mathur, D., Hydrogen chloride elimination from the molecular ions of alkyl chlorides, Org. Mass Spectrom., 1980, 15, 483. [all data]

Baldwin, Maccoll, et al., 1966
Baldwin, M.; Maccoll, A.; Miller, S.I., Ionization and appearance potentials from a study of alkyl chlorides, Advan. Mass Spectrom., 1966, 3, 259. [all data]


Notes

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