Ethane, 1,1,1-trichloro-

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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:
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:


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

Ethane, 1,1,1-trichloro- = Ethene, 1,1-dichloro- + Hydrogen chloride

By formula: C2H3Cl3 = C2H2Cl2 + HCl

Quantity Value Units Method Reference Comment
Δr56.9kJ/molEqkLevanova, Bushneva, et al., 1979liquid phase
Δr49.0kJ/molEqkLevanova, Bushneva, et al., 1979gas phase
Δr56.9 ± 2.1kJ/molEqkLevanova, Treger, et al., 1975liquid phase; solvent: Nitrobenzene; Flow reactor at 50°C

Ethene, 1,1-dichloro- + Hydrogen chloride = Ethane, 1,1,1-trichloro-

By formula: C2H2Cl2 + HCl = C2H3Cl3

Quantity Value Units Method Reference Comment
Δr-54.64 ± 0.84kJ/molEqkHu, Sinke, et al., 1972gas phase; Heat of halogenation at 348-399 K

Ethane, 1,1,2-trichloro- = Ethane, 1,1,1-trichloro-

By formula: C2H3Cl3 = C2H3Cl3

Quantity Value Units Method Reference Comment
Δr8.4kJ/molCisoLevanova, Treger, et al., 1975, 2gas phase

Gas phase ion energetics data

Go To: Top, Phase change data, Reaction 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:
LLK - Sharon G. Lias, Rhoda D. Levin, and Sherif A. Kafafi
LL - Sharon G. Lias and Joel F. Liebman

Ionization energy determinations

IE (eV) Method Reference Comment
11.0PEKatsumata and Kimura, 1975LLK
11.25PEKatsumata and Kimura, 1975Vertical value; LLK

Appearance energy determinations

Ion AE (eV) Other Products MethodReferenceComment
CCl3+11.78CH3EIHop, Holmes, et al., 1988LL

References

Go To: Top, Phase change data, Reaction thermochemistry 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.

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]

Levanova, Bushneva, et al., 1979
Levanova, s.V.; Bushneva, I.I.; Rodova, R.M.; Rozhnov, A.M.; Treger, Yu.A.; Aprelkin, A.S., Thermodynamic stability of chloroethanes in dehydrochlorination reactions, J. Appl. Chem. USSR, 1979, 52, 1439-1442. [all data]

Levanova, Treger, et al., 1975
Levanova, S.V.; Treger, Yu.A.; Velichko, S.M.; Rozhnov, A.M.; Bshneva, L.I.; Talanov, A.I., Equilibrium of the vinylidene chloride-methylchloroform system, Zh. Prikl. Khim. (Leningrad), 1975, 42, 480-481. [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]

Levanova, Treger, et al., 1975, 2
Levanova, S.V.; Treger, Yu.A.; Velichko, S.M.; Rozhnov, A.M.; Khlestkov, A.I.; Pisarev, V.V., Liquid-phase hydrochlorination of symmetrical dichloroethylenes, J. Appl. Chem. USSR, 1975, 48, 1628-1631, In original 1574. [all data]

Katsumata and Kimura, 1975
Katsumata, S.; Kimura, K., Photoelectron spectra and sum rule consideration. Effect of chlorine substitution on ionization energies for chloroethanes, chloroacetaldehydes and chloroacetyl chlorides, J. Electron Spectrosc. Relat. Phenom., 1975, 6, 309. [all data]

Hop, Holmes, et al., 1988
Hop, C.E.C.A.; Holmes, J.L.; Lossing, F.P.; Terlouw, J.K., The stability of [CCl4]+, [Cl2C-Cl-Cl]+, their dications, and neutral counterparts, Int. J. Mass Spectrom. Ion Processes, 1988, 83, 285. [all data]


Notes

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