Ethane, 1,1,1-trichloro-

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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:
DRB - Donald R. Burgess, Jr.
ALS - Hussein Y. Afeefy, Joel F. Liebman, and Stephen E. Stein

Quantity Value Units Method Reference Comment
Δfgas-145. ± 2.kJ/molReviewManion, 2002derived from recommended ΔfHliquid° and ΔvapH°; DRB
Δfgas-144.4 ± 1.6kJ/molCcbHu, Sinke, et al., 1972Reanalyzed by Cox and Pilcher, 1970, Original value = -146.0 ± 0.84 kJ/mol; see Hu and Sinke, 1969; ALS
Δfgas-142.3 ± 1.4kJ/molCcrMansson, Ringner, et al., 1971ALS

Phase change data

Go To: Top, Gas phase thermochemistry data, Mass spectrum (electron ionization), 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:
TRC - Thermodynamics Research Center, NIST Boulder Laboratories, Chris Muzny director
BS - Robert L. Brown and Stephen E. Stein
DRB - Donald R. Burgess, Jr.
AC - William E. Acree, Jr., James S. Chickos
ALS - Hussein Y. Afeefy, Joel F. Liebman, and Stephen E. Stein
DH - Eugene S. Domalski and Elizabeth D. Hearing
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

Quantity Value Units Method Reference Comment
Tboil347.2 ± 0.2KAVGN/AAverage of 13 out of 15 values; Individual data points
Quantity Value Units Method Reference Comment
Tfus240. ± 7.KAVGN/AAverage of 9 values; Individual data points
Quantity Value Units Method Reference Comment
Ttriple243.13KN/AAndon, Counsell, et al., 1973Crystal phase 1 phase; Uncertainty assigned by TRC = 0.02 K; TRC
Ttriple240.1KN/ACrowe and Smyth, 1950Crystal phase 1 phase; Uncertainty assigned by TRC = 0.2 K; TRC
Ttriple240.2KN/ARubin, Levedahl, et al., 1944Crystal phase 1 phase; Uncertainty assigned by TRC = 0.2 K; TRC
Quantity Value Units Method Reference Comment
Tc548.4KN/AMajer and Svoboda, 1985 
Quantity Value Units Method Reference Comment
Δvap32.5 ± 0.1kJ/molAVGN/AAverage of 6 values; Individual data points

Enthalpy of vaporization

ΔvapH (kJ/mol) Temperature (K) Method Reference Comment
29.86347.2N/AMajer and Svoboda, 1985 
33.313286.53N/ARubin, Levedahl, et al., 1944, 2P = 10.26 kPa; DH
32.3310.AStephenson and Malanowski, 1987Based on data from 295. to 372. K.; AC
30.5364.AStephenson and Malanowski, 1987Based on data from 349. to 408. K.; AC
29.4414.AStephenson and Malanowski, 1987Based on data from 399. to 487. K.; AC
29.5494.AStephenson and Malanowski, 1987Based on data from 479. to 545. K.; AC
32.4344.N/ARao and Viswanath, 1977AC
37.6211.N/AAmbrose, Sprake, et al., 1973Based on data from 196. to 298. K.; AC
33.4279.N/ARubin, Levedahl, et al., 1944, 2Based on data from 268. to 290. K.; AC
33.4 ± 0.1284.CRubin, Levedahl, et al., 1944, 2AC

Entropy of vaporization

ΔvapS (J/mol*K) Temperature (K) Reference Comment
116.26286.53Rubin, Levedahl, et al., 1944, 2P; DH

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
267.79 to 290.075.886072210.17934.902Rubin, Levedahl, et al., 1944, 2Coefficents calculated by NIST from author's data.

Enthalpy of fusion

ΔfusH (kJ/mol) Temperature (K) Reference Comment
1.88240.1Andon, Counsell, et al., 1973See also Domalski and Hearing, 1996.; AC

Entropy of fusion

ΔfusS (J/mol*K) Temperature (K) Reference Comment
1.02205.Domalski and Hearing, 1996CAL
33.31223.6
7.84240.1
33.3224.2
7.8240.2
33.3224.8
9.67243.1

Temperature of phase transition

Ttrs (K) Initial Phase Final Phase Reference Comment
225.0crystaline, IIcrystaline, IbHasebe and Yoshida, 1991DH
236.7crystaline, IaliquidHasebe and Yoshida, 1991DH
242.90crystaline, IbliquidHasebe and Yoshida, 1991DH

Enthalpy of phase transition

ΔHtrs (kJ/mol) Temperature (K) Initial Phase Final Phase Reference Comment
7.490224.80crystaline, IIcrystaline, IAndon, Counsell, et al., 1973, 2DH
2.350243.13crystaline, IliquidAndon, Counsell, et al., 1973, 2DH
7.473224.20crystaline, IIcrystaline, IRubin, Levedahl, et al., 1944, 2DH
1.880240.2crystaline, IliquidRubin, Levedahl, et al., 1944, 2H estimated because of errors in Cp above 225 K. Not used in calulation of entropy.; DH
7.470224.5crystaline, IIcrystaline, IMartin, 1982DH
1.550240.9crystaline, IliquidMartin, 1982DH
0.210205.crystaline, IIIcrystaline, IICrowe and Smyth, 1950, 2DH
7.450223.6crystaline, IIcrystaline, ICrowe and Smyth, 1950, 2DH
1.880240.1crystaline, IliquidCrowe and Smyth, 1950, 2DH

Entropy of phase transition

ΔStrs (J/mol*K) Temperature (K) Initial Phase Final Phase Reference Comment
33.32224.80crystaline, IIcrystaline, IAndon, Counsell, et al., 1973, 2DH
9.67243.13crystaline, IliquidAndon, Counsell, et al., 1973, 2DH
33.33224.20crystaline, IIcrystaline, IRubin, Levedahl, et al., 1944, 2DH
7.8240.2crystaline, IliquidRubin, Levedahl, et al., 1944, 2H; DH
33.3224.5crystaline, IIcrystaline, IMartin, 1982DH
6.43240.9crystaline, IliquidMartin, 1982DH
1.0205.crystaline, IIIcrystaline, IICrowe and Smyth, 1950, 2DH
33.3223.6crystaline, IIcrystaline, ICrowe and Smyth, 1950, 2DH
7.8240.1crystaline, IliquidCrowe and Smyth, 1950, 2DH

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:


Mass spectrum (electron ionization)

Go To: Top, Gas 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: NIST Mass Spectrometry Data Center, William E. Wallace, director

Spectrum

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Additional Data

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Owner NIST Mass Spectrometry Data Center
Collection (C) 2014 copyright by the U.S. Secretary of Commerce
on behalf of the United States of America. All rights reserved.
Origin NIST Mass Spectrometry Data Center, 1998.
NIST MS number 290899

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References

Go To: Top, Gas phase thermochemistry data, Phase change data, Mass spectrum (electron ionization), Notes

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

Manion, 2002
Manion, J.A., Evaluated Enthalpies of Formation of the Stable Closed Shell C1 and C2 Chlorinated Hydrocarbons, J. Phys. Chem. Ref. Data, 2002, 31, 1, 123-172, https://doi.org/10.1063/1.1420703 . [all data]

Hu, Sinke, et al., 1972
Hu, A.T.; Sinke, G.C.; Mintz, M.J., The enthalpy of formation of 1,1,1-trichloroethane from enthalpy of combustion and equilibrium studies, J. Chem. Thermodyn., 1972, 4, 239-245. [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]

Hu and Sinke, 1969
Hu, A.T.; Sinke, G.C., Combustion calorimetry of some chlorinated organic compounds, J. Chem. Thermodyn., 1969, 1, 507-513. [all data]

Mansson, Ringner, et al., 1971
Mansson, M.; Ringner, B.; Sunner, S., The enthalpies of combustion and formation of some simple chloroalkanes and chloralkenes 1,1,1-trichloroethane and 1,1-dichloroethene, J. Chem. Thermodyn., 1971, 3, 547-551. [all data]

Andon, Counsell, et al., 1973
Andon, R.J.L.; Counsell, J.F.; Lee, D.A.; Martin, J.F., Thermodynamic properties of aliphatic halogen compounds. Part 2.---Heat capacity of 1,1,1-trichloroethane, J. Chem. Soc., Faraday Trans. 1, 1973, 69, 0, 1721, https://doi.org/10.1039/f19736901721 . [all data]

Crowe and Smyth, 1950
Crowe, R.W.; Smyth, C.P., Heat capacities, dielectric constants and molecular rotational freedom in solid trichloroethanes and disubstituted propanes, J. Am. Chem. Soc., 1950, 72, 4009. [all data]

Rubin, Levedahl, et al., 1944
Rubin, T.R.; Levedahl, B.H.; Yost, D.M., The heat capacity, heat of transition, vaporization, vapor pressure and entropy of 1,1,1-trichloroethane, J. Am. Chem. Soc., 1944, 66, 279. [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]

Rubin, Levedahl, et al., 1944, 2
Rubin, T.R.; Levedahl, B.H.; Yost, D.M., The heat capacity, heat of transition, vaporization, vapor pressure and entropy of 1,1,1-trichloroethane, J. Am. Chem. Soc., 1944, 66, 279-282. [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]

Rao and Viswanath, 1977
Rao, Yaddanapudi J.; Viswanath, Dabir S., Integral isobaric heats of vaporization of benzene-chloroethane systems, J. Chem. Eng. Data, 1977, 22, 1, 36-38, https://doi.org/10.1021/je60072a011 . [all data]

Ambrose, Sprake, et al., 1973
Ambrose, D.; Sprake, C.H.S.; Townsend, R., Thermodynamic properties of aliphatic halogen compounds. Part 1.---Vapour pressure and critical properties of 1,1,1-trichloroethane, J. Chem. Soc., Faraday Trans. 1, 1973, 69, 0, 839, https://doi.org/10.1039/f19736900839 . [all data]

Domalski and Hearing, 1996
Domalski, Eugene S.; Hearing, Elizabeth D., Heat Capacities and Entropies of Organic Compounds in the Condensed Phase. Volume III, J. Phys. Chem. Ref. Data, 1996, 25, 1, 1, https://doi.org/10.1063/1.555985 . [all data]

Hasebe and Yoshida, 1991
Hasebe, T.; Yoshida, M., Polymorphism and molecular motions in 1,1,1-trichloroethane. Differential thermal analysis and 1H NMR, Fukushima Daigaku Kyoikugakubu Ronshu, Rika Hokoku, 1991, 48, 5-8. [all data]

Andon, Counsell, et al., 1973, 2
Andon, R.J.L.; Counsell, J.F.; Lee, D.A.; Martin, J.F., Thermodynamic properties of aliphatic halogen compounds. Part 2. Heat capacity of 1,1,1-trichloroethane, J. Chem. Soc. Faraday Trans., 1973, I 69, 1721-1726. [all data]

Martin, 1982
Martin, C.A., Specific heat anomalies in some organic compounds, Therm. Anal., Proc. Int. Conf., 7th, 1982, 2, 829-835. [all data]

Crowe and Smyth, 1950, 2
Crowe, R.W.; Smyth, C.P., Heat capacities, dielectric constants and molecular rotational freedom in solid trichloroethanes and disubstituted propanes, J. Am. Chem. Soc., 1950, 72, 4009-4015. [all data]


Notes

Go To: Top, Gas phase thermochemistry data, Phase change data, Mass spectrum (electron ionization), References