Ethane, 1,2-dichloro-

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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:
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-39.96 ± 0.84kcal/molReviewManion, 2002weighted average of several measurements; DRB
Δfliquid-40.55kcal/molCcrHu and Sinke, 1969ALS
Quantity Value Units Method Reference Comment
Δcliquid-295.51kcal/molCcrHu and Sinke, 1969ALS
Δcliquid-297.9 ± 2.0kcal/molCcbSmith, Bjellerup, et al., 1953Reanalyzed by Cox and Pilcher, 1970, Original value = -297. ± 2. kcal/mol; ALS
Quantity Value Units Method Reference Comment
liquid49.840cal/mol*KN/APitzer, 1940DH

Constant pressure heat capacity of liquid

Cp,liquid (cal/mol*K) Temperature (K) Reference Comment
30.93298.15Hallen, 1993DH
30.786298.15Lainez, Roux-Desgranges, et al., 1985DH
30.829298.15Wilhelm, Faradjzadeh, et al., 1979DH
30.83298.15Wilhelm, Grolier, et al., 1979DH
30.829298.15Wilhelm, Grolier, et al., 1977DH
30.74298.15Wilhelm, Schano, et al., 1969T = 20, 30 40°C.; DH
30.88293.Rastorguev and Ganiev, 1967T = 293 to 353 K.; DH
30.961298.15Ruiter, 1955T = 7 to 50°C.; DH
30.999298.Staveley, Tupman, et al., 1955T = 284 to 348 K.; DH
29.71293.Sieg, Crtzen, et al., 1951DH
29.40298.Kurbatov, 1948T = -25 to 86°C, mean Cp, four temperatures.; DH
30.81298.15Pitzer, 1940T = 15 to 308 K.; DH
31.31300.Railing, 1939T = 90 to 320 K. Data graphically only. Value read from graph.; DH
29.21298.von Reis, 1881T = 290 to 364 K.; DH

Henry's Law 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: Rolf Sander

Henry's Law constant (water solution)

kH(T) = H exp(d(ln(kH))/d(1/T) ((1/T) - 1/(298.15 K)))
H = Henry's law constant for solubility in water at 298.15 K (mol/(kg*bar))
d(ln(kH))/d(1/T) = Temperature dependence constant (K)

H (mol/(kg*bar)) d(ln(kH))/d(1/T) (K) Method Reference Comment
0.724200.LN/A 
0.954300.MN/A 
0.83 MN/A 
0.823800.XN/A 
0.873900.MN/A 
0.853900.XN/A 
0.84 QN/A missing citation give several references for the Henry's law constants but don't assign them to specific species.
0.644500.XN/A 
0.694700.XN/A 
0.641500.XN/A 
0.863700.XBarr and Newsham, 1987 
0.902400.XN/A 
0.843500.XLeighton and Calo, 1981 
0.92 LN/A 
0.81 VN/A 
1.0 CN/A 
0.76 VN/A 
1.1 MPearson and McConnell, 1975The same data was also published in missing citation. Value at T = 293. K.
0.834100.MN/A 

Gas phase ion energetics 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 evaluated as indicated in comments:
L - Sharon G. Lias

Data compiled as indicated in comments:
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)11.07 ± 0.04eVN/AN/AL

Ionization energy determinations

IE (eV) Method Reference Comment
11.05PIBerman, Anicich, et al., 1979LLK
11.04PEBerman, Anicich, et al., 1979LLK
11.12 ± 0.05PIWatanabe, Nakayama, et al., 1962RDSH
11.40 ± 0.10PEGan, Peel, et al., 1977Vertical value; Trans conformer; LLK
11.22 ± 0.02PEChau and McDowell, 1975Vertical value; LLK
11.39 ± 0.03PERaymonda, Edwards, et al., 1974Vertical value; LLK

Appearance energy determinations

Ion AE (eV) Other Products MethodReferenceComment
CH2Cl+12.5 ± 0.1CH2ClEIHarrison and Shannon, 1962RDSH
C2H3Cl+11.1?PIBerman, Anicich, et al., 1979LLK

References

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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 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]

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]

Pitzer, 1940
Pitzer, K.S., The heat capacities, heats of transition and fusion, and entropies of ethylene dichloride and ethylene dibromide, J. Am. Chem. Soc., 1940, 62, 331-335. [all data]

Hallen, 1993
Hallen, D., Enthalpies of solution and heat capacities for some a,w-dichloroalkanes in water, J. Chem. Thermodynam., 1993, 25, 519-524. [all data]

Lainez, Roux-Desgranges, et al., 1985
Lainez, A.; Roux-Desgranges, G.; Grolier, J.-P.E.; Wilhelm, E., Mixtures of alkanes with polar molecules showing integral rotation: an unusual composition dependence of CpE of 1,2-dichloroethane + an n-alkane, Fluid Phase Equilib., 1985, 20, 47-56. [all data]

Wilhelm, Faradjzadeh, et al., 1979
Wilhelm, E.; Faradjzadeh, A.; Grolier, J.-P.E., Molar excess heat capacities and excess volumes of 1,2-dichloroethane + cyclooctane, + mesitylene, and + tetrachloromethane, J. Chem. Thermodynam., 1979, 11, 979-984. [all data]

Wilhelm, Grolier, et al., 1979
Wilhelm, E.; Grolier, G.-P.E.; Karbalai Ghassemi, M.H., Molar heat capacity of binary liquid mixtures: 1,2-dichloroethane + cyclohexane and 1,2-dichloroethane + methylcyclohexane, Thermochim. Acta, 1979, 28, 59-69. [all data]

Wilhelm, Grolier, et al., 1977
Wilhelm, E.; Grolier, J.-P.E.; Karbalai Ghassemi, M.H., Molar heat capacities of binary liquid mixtures: 1,2-dichloroethane + benzene, + toluene, and + p-xylene, Ber. Bunsenges. Phys. Chem., 1977, 81, 925-930. [all data]

Wilhelm, Schano, et al., 1969
Wilhelm, E.; Schano, R.; Becker, G.; Findenegg, G.H.; Kohler, F., Molar heat capacity at constant volume. Binary mixtures of 1,2-dichloroethane and 1,2-dibromoethane with cyclohexane, Trans. Faraday Soc., 1969, 65, 1443-1455. [all data]

Rastorguev and Ganiev, 1967
Rastorguev, Yu.L.; Ganiev, Yu.A., Study of the heat capacity of selected solvents, Izv. Vyssh. Uchebn. Zaved. Neft Gaz. 10, 1967, No.1, 79-82. [all data]

Ruiter, 1955
Ruiter, L.H., Some thermodynamic properties of the system benzene 1,2-dichloroethane. Part II. The excess molar heat capacities, Rec. Trav. Chim., 1955, 74, 1467-1481. [all data]

Staveley, Tupman, et al., 1955
Staveley, L.A.K.; Tupman, W.I.; Hart, K.R., Some thermodynamice properties of the systems benzene + ethylene dichloride, benzene + carbon tetrachloride, acetone + chloroform, and acetone + carbon disulphide, Trans. Faraday Soc., 1955, 51, 323-342. [all data]

Sieg, Crtzen, et al., 1951
Sieg, L.; Crtzen, J.L.; Jost, W., Zur Thermodynamik von Mischphasen IX. Über das Verdampfungsgleichgewicht Benzol-1-2-Dichloraethan, Z. Phys. Chem., 1951, 198, 263-269. [all data]

Kurbatov, 1948
Kurbatov, V.Ya., Heat capacity of liquids. 2. Heat capacity and the temperature dependence of heat capacity from halogen derivatives of acylic hydrocarbons, Zh. Obshch. Kim., 1948, 18, 372-389. [all data]

Railing, 1939
Railing, W.E., The specific heat of some ethylene halides, J. Am. Chem. Soc., 1939, 61, 3349-3353. [all data]

von Reis, 1881
von Reis, M.A., Die specifische Wärme flüssiger organischer Verbindungen und ihre Beziehung zu deren Moleculargewicht, Ann. Physik [3], 1881, 13, 447-464. [all data]

Barr and Newsham, 1987
Barr, R.S.; Newsham, D.M.T., Phase Equilibrtia in Very Dilute Mixtures of Water and Chlorinated Hydrocarbons. Part I - Experimental Results, Fluid Phase Equilibria, 1987, 35, 189-205. [all data]

Leighton and Calo, 1981
Leighton, D.T.; Calo, J.M., Distribution Coefficients of Chlorinated Hydrocarbons in Dilute Air-Water Systems for Groundwater Contamination Applications, J. Chem. Eng. Data, 1981, 26, 382-385. [all data]

Pearson and McConnell, 1975
Pearson, C.R.; McConnell, G., Chlorinated C1 and C2 Hydrocarbons in the Marine Environment, Proc. R. Soc. London, B, 1975, 189, 305-332. [all data]

Berman, Anicich, et al., 1979
Berman, D.W.; Anicich, V.; Beauchamp, J.L., Stabilities of isomeric halonium ions C2H4X+ (X = Cl, Br) by photoionization mass spectrometry iand on cyclotron resonance spectroscopy. General considerations of the relative stabilities of cyclic and acyclic isomeric onium ions, J. Am. Chem. Soc., 1979, 101, 1239. [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]

Gan, Peel, et al., 1977
Gan, T.H.; Peel, J.B.; Willett, G.D., Photoelectron spectra of the gauche and trans conformers of 1,2-dichloroethane, J. Chem. Soc. Faraday Trans. 2, 1977, 73, 965. [all data]

Chau and McDowell, 1975
Chau, F.T.; McDowell, C.A., Photoelectron spectra of 1,2 dichloro-, 1,2 dibromo- and 1,2 diiodo-ethane, J. Electron Spectrosc. Relat. Phenom., 1975, 6, 365. [all data]

Raymonda, Edwards, et al., 1974
Raymonda, J.W.; Edwards, L.O.; Russell, B.R., Vacuum ultraviolet absorption spectra of some chloroalkanes, J. Am. Chem. Soc., 1974, 96, 1708. [all data]

Harrison and Shannon, 1962
Harrison, A.G.; Shannon, T.W., An electron impact study of chloromethyl and dichloromethyl derivatives, Can. J. Chem., 1962, 40, 1730. [all data]


Notes

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