Propane, 2-chloro-2-methyl-

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Gas phase thermochemistry data

Go To: Top, Condensed phase thermochemistry data, 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 compiled by: Hussein Y. Afeefy, Joel F. Liebman, and Stephen E. Stein

Quantity Value Units Method Reference Comment
Δfgas-179.9kJ/molEqkHowlett, 1955 

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 as indicated in comments:
ALS - Hussein Y. Afeefy, Joel F. Liebman, and Stephen E. Stein
DH - Eugene S. Domalski and Elizabeth D. Hearing

Quantity Value Units Method Reference Comment
Δfliquid-211.2 ± 2.3kJ/molCmArnett and Pienta, 1980Hydrochlorination; ALS
Quantity Value Units Method Reference Comment
Δcliquid-2675.2 ± 8.4kJ/molCcbSmith, Bjellerup, et al., 1953Reanalyzed by Cox and Pilcher, 1970, Original value = -2670. ± 8. kJ/mol; ALS

Constant pressure heat capacity of liquid

Cp,liquid (J/mol*K) Temperature (K) Reference Comment
162.0298.15Shehatta, 1993DH
172.80272.73Dworkin and Guillamin, 1966T = 82 to 273 K. Value is unsmoothed experimental datum.; DH
152.7259.6Kushner, Crowe, et al., 1950T = 122 to 260 K. Value is unsmoothed experimental datum.; DH

Phase change data

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

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
CAL - James S. Chickos, William E. Acree, Jr., Joel F. Liebman, Students of Chem 202 (Introduction to the Literature of Chemistry), University of Missouri -- St. Louis
DH - Eugene S. Domalski and Elizabeth D. Hearing

Quantity Value Units Method Reference Comment
Tboil324.1 ± 0.9KAVGN/AAverage of 14 values; Individual data points
Quantity Value Units Method Reference Comment
Tfus247. ± 3.KAVGN/AAverage of 8 values; Individual data points
Quantity Value Units Method Reference Comment
Ttriple247.53KN/ADworkin and Guillamin, 1966, 2Crystal phase 1 phase; Uncertainty assigned by TRC = 0.02 K; TRC
Quantity Value Units Method Reference Comment
Δvap29.19kJ/molN/AMajer and Svoboda, 1985 
Δvap28.6kJ/molCGCChickos, Hosseini, et al., 1995Based on data from 313. to 353. K.; AC
Δvap29.0 ± 0.1kJ/molCWadsö, Luoma, et al., 1968AC

Enthalpy of vaporization

ΔvapH (kJ/mol) Temperature (K) Method Reference Comment
27.55324.N/AMajer and Svoboda, 1985 
32.3268.AStephenson and Malanowski, 1987Based on data from 253. to 358. K. See also Dykyj, 1971.; AC
27.8309.AStephenson and Malanowski, 1987Based on data from 295. to 323. K. See also Calero, Valle, et al., 1969.; AC
27.310.N/ACalero, Valle, et al., 1969Based on data from 295. to 323. K. See also Boublik, Fried, et al., 1984.; AC
29.1269.N/AStull, 1947Based on data from 254. to 324. K.; 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
295. to 319.711.0542110.567-221.514Calero, Valle, et al., 1969, 2Coefficents calculated by NIST from author's data.
254. to 324.4.242011281.242-21.795Stull, 1947Coefficents calculated by NIST from author's data.

Enthalpy of fusion

ΔfusH (kJ/mol) Temperature (K) Method Reference Comment
1.89247.8DSCTamarit, López, et al., 2000AC
1.97248.1N/ALange, 1985AC
1.99248.4N/AUrban, Janik, et al., 1972AC

Entropy of fusion

ΔfusS (J/mol*K) Temperature (K) Reference Comment
10.25182.9Dean, 1985CAL
26.82219.3
7.95248.1

Enthalpy of phase transition

ΔHtrs (kJ/mol) Temperature (K) Initial Phase Final Phase Reference Comment
1.874182.91crystaline, IIIcrystaline, IIDworkin and Guillamin, 1966DH
5.883219.25crystaline, IIcrystaline, IDworkin and Guillamin, 1966DH
2.071247.53crystaline, IliquidDworkin and Guillamin, 1966DH
1.715183.1crystaline, IIIcrystaline, IIKushner, Crowe, et al., 1950DH
5.815219.6crystaline, IIcrystaline, IKushner, Crowe, et al., 1950DH
2.010248.1crystaline, IliquidKushner, Crowe, et al., 1950DH

Entropy of phase transition

ΔStrs (J/mol*K) Temperature (K) Initial Phase Final Phase Reference Comment
10.25182.91crystaline, IIIcrystaline, IIDworkin and Guillamin, 1966DH
26.83219.25crystaline, IIcrystaline, IDworkin and Guillamin, 1966DH
8.37247.53crystaline, IliquidDworkin and Guillamin, 1966DH
9.4183.1crystaline, IIIcrystaline, IIKushner, Crowe, et al., 1950DH
26.5219.6crystaline, IIcrystaline, IKushner, Crowe, et al., 1950DH
8.1248.1crystaline, IliquidKushner, Crowe, et al., 1950DH

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:


References

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

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

Howlett, 1955
Howlett, K.E., The use of equilibrium constants to calculate thermodynamic quantities. Part II, J. Chem. Soc., 1955, 1784-17. [all data]

Arnett and Pienta, 1980
Arnett, E.M.; Pienta, N.J., Stabilities of carbonium ions in solution. 12. Heats of formation of alkyl chlorides as an entree to heats of solvation of aliphatic carbonium ions, J. Am. Chem. Soc., 1980, 102, 3329-3334. [all data]

Smith, Bjellerup, et al., 1953
Smith, L.; Bjellerup, L.; Krook, S.; Westermark, H., Heats of combustion of organic chloro compounds determined by the "quartz wool" method, Acta Chem. Scand., 1953, 7, 65. [all data]

Cox and Pilcher, 1970
Cox, J.D.; Pilcher, G., Thermochemistry of Organic and Organometallic Compounds, Academic Press, New York, 1970, 1-636. [all data]

Shehatta, 1993
Shehatta, I., Heat capacity at constant pressure of some halogen compounds, Thermochim. Acta, 1993, 213, 1-10. [all data]

Dworkin and Guillamin, 1966
Dworkin, A.; Guillamin, M., Chaleur specifique du chlorure de tertiobutyle a basse temperature, J. chim. Phys. physicochim., 1966, 63, 53-58. [all data]

Kushner, Crowe, et al., 1950
Kushner, L.M.; Crowe, R.W.; Smyth, C.P., The heat capacities and dielectric constants of some alkyl halides in the solid state, J. Am. Chem. Soc., 1950, 72, 1091-1098. [all data]

Dworkin and Guillamin, 1966, 2
Dworkin, A.; Guillamin, M., Specific heat of tert-butyl chloride at low temperature, J. Chim. Phys. Phys.-Chim. Biol., 1966, 63, 53. [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]

Chickos, Hosseini, et al., 1995
Chickos, James S.; Hosseini, Sarah; Hesse, Donald G., Determination of vaporization enthalpies of simple organic molecules by correlations of changes in gas chromatographic net retention times, Thermochimica Acta, 1995, 249, 41-62, https://doi.org/10.1016/0040-6031(95)90670-3 . [all data]

Wadsö, Luoma, et al., 1968
Wadsö, Ingemar; Luoma, Sinikka; Olson, Thomas; Norin, Torbjörn, Heats of Vaporization of Organic Compounds. II. Chlorides, Bromides, and Iodides., Acta Chem. Scand., 1968, 22, 2438-2444, https://doi.org/10.3891/acta.chem.scand.22-2438 . [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]

Dykyj, 1971
Dykyj, J., Petrochemia, 1971, 11, 2, 27. [all data]

Calero, Valle, et al., 1969
Calero, G.C.; Valle, M.M.; Losa, C.G., Rev. Acad. Cienc. Fis. Quim. Nat. Zaragoza, 1969, 24, 2, 137. [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]

Stull, 1947
Stull, Daniel R., Vapor Pressure of Pure Substances. Organic and Inorganic Compounds, Ind. Eng. Chem., 1947, 39, 4, 517-540, https://doi.org/10.1021/ie50448a022 . [all data]

Calero, Valle, et al., 1969, 2
Calero, G.C.; Valle, M.M.; Losa, C.G., Estudio Termodinamico del Sistema 2-Cloro, 2-Metilpropano 2-Bromo, 2-Metilpropano, Rev. Acad. Cienc. Exactas Fis. Quim. Nat. Zaragoza, 1969, 24, 2, 137-158. [all data]

Tamarit, López, et al., 2000
Tamarit, J.Ll.; López, D.O.; Alcobé, X.; Barrio, M.; Salud, J.; Pardo, L.C., Thermal and Structural Characterization of (CH 3 ) 3 CCl, Chem. Mater., 2000, 12, 2, 555-563, https://doi.org/10.1021/cm9911565 . [all data]

Lange, 1985
Lange, N.A., Lange's Handbook of Chemistry, 13th Edition, J.A. Dean, ed(s)., McGraw-Hill, New York, NY, 1985, 1792. [all data]

Urban, Janik, et al., 1972
Urban, S.; Janik, J.A.; Lenik, J.; Mayer, J.; Waluga, T.; Wróbel, S., Calorimetric, dielectric, and infrared investigations of solid t-butyl chloride, Phys. Stat. Sol. (a), 1972, 10, 1, 271-280, https://doi.org/10.1002/pssa.2210100132 . [all data]

Dean, 1985
Dean, J.A., Lange's Handbook of Chemistry, 1985, McGraw-Hill. [all data]


Notes

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