Ethane, 1,2-dichloro-

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Condensed phase thermochemistry data

Go To: Top, Phase change data, Gas phase ion energetics 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:
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-167.2 ± 3.5kJ/molReviewManion, 2002weighted average of several measurements; DRB
Δfliquid-169.7kJ/molCcrHu and Sinke, 1969ALS
Quantity Value Units Method Reference Comment
Δcliquid-1236.4kJ/molCcrHu and Sinke, 1969ALS
Δcliquid-1246.4 ± 8.4kJ/molCcbSmith, Bjellerup, et al., 1953Reanalyzed by Cox and Pilcher, 1970, Original value = -1244. ± 8. kJ/mol; ALS
Quantity Value Units Method Reference Comment
liquid208.53J/mol*KN/APitzer, 1940DH

Constant pressure heat capacity of liquid

Cp,liquid (J/mol*K) Temperature (K) Reference Comment
129.4298.15Hallen, 1993DH
128.81298.15Lainez, Roux-Desgranges, et al., 1985DH
128.99298.15Wilhelm, Faradjzadeh, et al., 1979DH
129.0298.15Wilhelm, Grolier, et al., 1979DH
128.99298.15Wilhelm, Grolier, et al., 1977DH
128.6298.15Wilhelm, Schano, et al., 1969T = 20, 30 40°C.; DH
129.2293.Rastorguev and Ganiev, 1967T = 293 to 353 K.; DH
129.54298.15Ruiter, 1955T = 7 to 50°C.; DH
129.70298.Staveley, Tupman, et al., 1955T = 284 to 348 K.; DH
124.3293.Sieg, Crtzen, et al., 1951DH
123.0298.Kurbatov, 1948T = -25 to 86°C, mean Cp, four temperatures.; DH
128.9298.15Pitzer, 1940T = 15 to 308 K.; DH
131.0300.Railing, 1939T = 90 to 320 K. Data graphically only. Value read from graph.; DH
122.2298.von Reis, 1881T = 290 to 364 K.; DH

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
AC - William E. Acree, Jr., James S. Chickos
DRB - Donald R. Burgess, Jr.
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
Tboil356.7 ± 0.6KAVGN/AAverage of 48 out of 52 values; Individual data points
Quantity Value Units Method Reference Comment
Tfus230. ± 40.KAVGN/AAverage of 9 values; Individual data points
Quantity Value Units Method Reference Comment
Ttriple237.6KN/AKnauth and Sabbah, 1990Uncertainty assigned by TRC = 0.3 K; TRC
Ttriple237.2KN/APitzer, 1940, 2Crystal phase 1 phase; Uncertainty assigned by TRC = 0.02 K; TRC
Quantity Value Units Method Reference Comment
Tc561.6KN/AGarcia-Sanchez and Trejo Rodriguez, 1985Uncertainty assigned by TRC = 0.4 K; TRC
Tc561.2KN/AMajer and Svoboda, 1985 
Tc563.15KN/AHojendahl, 1946Uncertainty assigned by TRC = 3. K; TRC
Quantity Value Units Method Reference Comment
Pc53.80barN/AGarcia-Sanchez and Trejo Rodriguez, 1985Uncertainty assigned by TRC = 0.50 bar; TRC
Quantity Value Units Method Reference Comment
ρc4.45mol/lN/AHojendahl, 1946Uncertainty assigned by TRC = 0.15 mol/l; TRC
Quantity Value Units Method Reference Comment
Δvap35.1 ± 0.6kJ/molAVGN/AAverage of 8 values; Individual data points

Enthalpy of vaporization

ΔvapH (kJ/mol) Temperature (K) Method Reference Comment
31.98356.6N/AMajer and Svoboda, 1985 
31.1371.AStephenson and Malanowski, 1987Based on data from 356. to 558. K.; AC
34.8294.AStephenson and Malanowski, 1987Based on data from 279. to 374. K.; AC
31.1383.AStephenson and Malanowski, 1987Based on data from 368. to 524. K.; AC
40.8538.AStephenson and Malanowski, 1987Based on data from 523. to 561. K.; AC
34.8294.N/AStephenson and Malanowski, 1987Based on data from 279. to 434. K. See also Dykyj, 1970.; AC
34.7316.N/AGutsche and Knapp, 1982Based on data from 301. to 357. K.; AC
33.91273.VGallaugher and Hibbert, 1937ALS
37.5258.N/APearce and Peters, 1928Based on data from 243. to 372. 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
242.33 to 372.64.585181521.789-24.67Pearce and Peters, 1929Coefficents calculated by NIST from author's data.

Enthalpy of fusion

ΔfusH (kJ/mol) Temperature (K) Reference Comment
8.8366237.2Pitzer, 1940DH
8.83237.2Domalski and Hearing, 1996AC

Entropy of fusion

ΔfusS (J/mol*K) Temperature (K) Reference Comment
37.25237.2Pitzer, 1940DH

Entropy of fusion

ΔfusS (J/mol*K) Temperature (K) Reference Comment
16.2237.2Domalski and Hearing, 1996CAL
36.8175.

Enthalpy of phase transition

ΔHtrs (kJ/mol) Temperature (K) Initial Phase Final Phase Reference Comment
2.845175.crystaline, II Railing, 1939DH
8.745237.6crystaline, IliquidRailing, 1939DH

Entropy of phase transition

ΔStrs (J/mol*K) Temperature (K) Initial Phase Final Phase Reference Comment
16.2175.crystaline, II, Lambda, type transitionRailing, 1939DH
36.8237.6crystaline, IliquidRailing, 1939DH

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:


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

Mass spectrum (electron ionization)

Go To: Top, Condensed phase thermochemistry data, Phase change 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 by: NIST Mass Spectrometry Data Center, William E. Wallace, director

Spectrum

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Mass 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, 1990.
NIST MS number 114952

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References

Go To: Top, Condensed phase thermochemistry data, Phase change data, Gas phase ion energetics 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 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]

Knauth and Sabbah, 1990
Knauth, P.; Sabbah, R., Development and applications of a low-temperature differential thermal analyzer (77 < T, K < 330), J. Therm. Anal., 1990, 36, 969-77. [all data]

Pitzer, 1940, 2
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, 331-5. [all data]

Garcia-Sanchez and Trejo Rodriguez, 1985
Garcia-Sanchez, F.; Trejo Rodriguez, A., Vapour pressure and critical constants of 1,2-dichloroethane, J. Chem. Thermodyn., 1985, 17, 981. [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]

Hojendahl, 1946
Hojendahl, K., Dielectric Constant, Viscosity, Surface Tension, and Critical Data of Boron Tribromide, Dioxane, and Ethylene Dichloride, Mat.-Fys. Medd. - K. Dan. Vidensk. Selsk., 1946, 24, 1. [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, 1970
Dykyj, J., Petrochemica, 1970, 10, 2, 51. [all data]

Gutsche and Knapp, 1982
Gutsche, Bernhard; Knapp, Helmut, Isothermal measurements of vapor-liquid equilibria for three n-alkane-chloroalkane mixtures, Fluid Phase Equilibria, 1982, 8, 3, 285-300, https://doi.org/10.1016/0378-3812(82)80040-X . [all data]

Gallaugher and Hibbert, 1937
Gallaugher, A.F.; Hibbert, H., Studies on reactions relating to carbohydrates and polysaccharides. LV. Vapor pressures of the polyethylene glycols and their derivatives, J. Am. Chem. Soc., 1937, 59, 2521-2525. [all data]

Pearce and Peters, 1928
Pearce, J.N.; Peters, P.E., The Vapor Pressure of Ethylene Chloride between--30° and 100°, J. Phys. Chem., 1928, 33, 6, 873-878, https://doi.org/10.1021/j150300a006 . [all data]

Pearce and Peters, 1929
Pearce, J.N.; Peters, P.E., The Vapor Pressure of Ethylene Chloride Between -30° and 100°, J. Phys. Chem., 1929, 33, 6, 873-878, https://doi.org/10.1021/j150300a006 . [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]

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

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