Ethane, 1,1,1-trichloro-

Data at NIST subscription sites:

NIST subscription sites provide data under the NIST Standard Reference Data Program, but require an annual fee to access. The purpose of the fee is to recover costs associated with the development of data collections included in such sites. Your institution may already be a subscriber. Follow the links above to find out more about the data in these sites and their terms of usage.


Gas phase thermochemistry data

Go To: Top, Condensed phase thermochemistry data, Gas phase ion energetics 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:
DRB - Donald R. Burgess, Jr.
ALS - Hussein Y. Afeefy, Joel F. Liebman, and Stephen E. Stein

Quantity Value Units Method Reference Comment
Δfgas-34.6 ± 0.5kcal/molReviewManion, 2002derived from recommended ΔfHliquid° and ΔvapH°; DRB
Δfgas-34.51 ± 0.38kcal/molCcbHu, Sinke, et al., 1972Reanalyzed by Cox and Pilcher, 1970, Original value = -34.89 ± 0.20 kcal/mol; see Hu and Sinke, 1969; ALS
Δfgas-34.01 ± 0.33kcal/molCcrMansson, Ringner, et al., 1971ALS

Condensed phase thermochemistry data

Go To: Top, Gas phase thermochemistry data, Gas phase ion energetics 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:
DRB - Donald R. Burgess, Jr.
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-42.4 ± 0.5kcal/molReviewManion, 2002weighted average of several measurements; DRB
Δfliquid-41.7kcal/molEqkLevanova, Treger, et al., 1975Flow reactor at 50°C; ALS
Δfliquid-42.68 ± 0.20kcal/molCcbHu, Sinke, et al., 1972Reanalyzed by Cox and Pilcher, 1970, Original value = -42.0 ± 0.19 kcal/mol; see Hu and Sinke, 1969; ALS
Δfliquid-41.78 ± 0.33kcal/molCcrMansson, Ringner, et al., 1971ALS
Quantity Value Units Method Reference Comment
Δcliquid-264.83 ± 0.19kcal/molCcbHu, Sinke, et al., 1972see Hu and Sinke, 1969; ALS
Δcliquid-265.80 ± 0.31kcal/molCcrMansson, Ringner, et al., 1971ALS
Quantity Value Units Method Reference Comment
liquid54.18cal/mol*KN/AAndon, Counsell, et al., 1973DH
liquid54.369cal/mol*KN/ARubin, Levedahl, et al., 1944DH

Constant pressure heat capacity of liquid

Cp,liquid (cal/mol*K) Temperature (K) Reference Comment
34.51298.15Andon, Counsell, et al., 1973T = 10 to 310 K.; DH
33.20257.29Crowe and Smyth, 1950T = 117 to 260 K. Value is unsmoothed experimental datum.; DH
34.491299.59Rubin, Levedahl, et al., 1944T = 12 to 300 K. Value is unsmoothed experimental datum.; DH

Constant pressure heat capacity of solid

Cp,solid (cal/mol*K) Temperature (K) Reference Comment
29.4225.Martin and Monti, 1988T = 10 to 225 K. Data given graphically and estimated from graph.; DH

Gas phase ion energetics 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:
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, Gas phase thermochemistry data, Condensed phase 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.

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]

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]

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., 1973, I 69, 1721-1726. [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, 279-282. [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, 4009-4015. [all data]

Martin and Monti, 1988
Martin, C.A.; Monti, G.A., Specific heat analysis in 1,1,1-trichloroethane, Thermochim. Acta, 1988, 134, 27-34. [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

Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Gas phase ion energetics data, References