Ethane, 1,2-dichloro-
- Formula: C2H4Cl2
- Molecular weight: 98.959
- IUPAC Standard InChIKey: WSLDOOZREJYCGB-UHFFFAOYSA-N
- CAS Registry Number: 107-06-2
- Chemical structure:
This structure is also available as a 2d Mol file or as a computed 3d SD file
The 3d structure may be viewed using Java or Javascript. - Other names: α,β-Dichloroethane; s-Dichloroethane; Brocide; Dutch liquid; Ethylene chloride; Ethylene dichloride; Freon 150; Glycol dichloride; 1,2-Bichloroethane; 1,2-Dichlorethane; 1,2-Dichloroethane; CH2ClCH2Cl; sym-Dichloroethane; Aethylenchlorid; Bichlorure D'ethylene; Borer sol; Chlorure D'ethylene; Cloruro di ethene; 1,2-DCE; Destruxol borer-sol; 1,2-Dichloorethaan; 1,2-Dichlor-aethan; Dichloremulsion; Di-chlor-mulsion; Dichloro-1,2-ethane; 1,2-Dicloroetano; Dutch oil; EDC; ENT 1,656; Ethane dichloride; Ethyleendichloride; 1,2-Ethylene dichloride; NCI-C00511; Rcra waste number U077; UN 1184; DCE; EDC (halocarbon); HCC 150; 1,2-dichloroethane (ethylene dichloride)
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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 |
---|---|---|---|---|---|
ΔfH°gas | -31.5 ± 0.84 | kcal/mol | Review | Manion, 2002 | derived from recommended ΔfHliquid° and ΔvapH°; DRB |
ΔfH°gas | -29.98 ± 0.25 | kcal/mol | Chyd | Lacher, Amador, et al., 1967 | Reanalyzed by Cox and Pilcher, 1970, Original value = -30.18 ± 0.25 kcal/mol; At 250 C; ALS |
ΔfH°gas | -30.8 | kcal/mol | Cm | Kirkbride, 1956 | Heat of chlorination; ALS |
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 |
---|---|---|---|---|---|
ΔfH°liquid | -39.96 ± 0.84 | kcal/mol | Review | Manion, 2002 | weighted average of several measurements; DRB |
ΔfH°liquid | -40.55 | kcal/mol | Ccr | Hu and Sinke, 1969 | ALS |
Quantity | Value | Units | Method | Reference | Comment |
ΔcH°liquid | -295.51 | kcal/mol | Ccr | Hu and Sinke, 1969 | ALS |
ΔcH°liquid | -297.9 ± 2.0 | kcal/mol | Ccb | Smith, Bjellerup, et al., 1953 | Reanalyzed by Cox and Pilcher, 1970, Original value = -297. ± 2. kcal/mol; ALS |
Quantity | Value | Units | Method | Reference | Comment |
S°liquid | 49.840 | cal/mol*K | N/A | Pitzer, 1940 | DH |
Constant pressure heat capacity of liquid
Cp,liquid (cal/mol*K) | Temperature (K) | Reference | Comment |
---|---|---|---|
30.93 | 298.15 | Hallen, 1993 | DH |
30.786 | 298.15 | Lainez, Roux-Desgranges, et al., 1985 | DH |
30.829 | 298.15 | Wilhelm, Faradjzadeh, et al., 1979 | DH |
30.83 | 298.15 | Wilhelm, Grolier, et al., 1979 | DH |
30.829 | 298.15 | Wilhelm, Grolier, et al., 1977 | DH |
30.74 | 298.15 | Wilhelm, Schano, et al., 1969 | T = 20, 30 40°C.; DH |
30.88 | 293. | Rastorguev and Ganiev, 1967 | T = 293 to 353 K.; DH |
30.961 | 298.15 | Ruiter, 1955 | T = 7 to 50°C.; DH |
30.999 | 298. | Staveley, Tupman, et al., 1955 | T = 284 to 348 K.; DH |
29.71 | 293. | Sieg, Crtzen, et al., 1951 | DH |
29.40 | 298. | Kurbatov, 1948 | T = -25 to 86°C, mean Cp, four temperatures.; DH |
30.81 | 298.15 | Pitzer, 1940 | T = 15 to 308 K.; DH |
31.31 | 300. | Railing, 1939 | T = 90 to 320 K. Data graphically only. Value read from graph.; DH |
29.21 | 298. | von Reis, 1881 | T = 290 to 364 K.; 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 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 ± 0.04 | eV | N/A | N/A | L |
Ionization energy determinations
IE (eV) | Method | Reference | Comment |
---|---|---|---|
11.05 | PI | Berman, Anicich, et al., 1979 | LLK |
11.04 | PE | Berman, Anicich, et al., 1979 | LLK |
11.12 ± 0.05 | PI | Watanabe, Nakayama, et al., 1962 | RDSH |
11.40 ± 0.10 | PE | Gan, Peel, et al., 1977 | Vertical value; Trans conformer; LLK |
11.22 ± 0.02 | PE | Chau and McDowell, 1975 | Vertical value; LLK |
11.39 ± 0.03 | PE | Raymonda, Edwards, et al., 1974 | Vertical value; LLK |
Appearance energy determinations
Ion | AE (eV) | Other Products | Method | Reference | Comment |
---|---|---|---|---|---|
CH2Cl+ | 12.5 ± 0.1 | CH2Cl | EI | Harrison and Shannon, 1962 | RDSH |
C2H3Cl+ | 11.1 | ? | PI | Berman, Anicich, et al., 1979 | LLK |
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]
Lacher, Amador, et al., 1967
Lacher, J.R.; Amador, A.; Park, J.D.,
Reaction heats of organic compounds. Part 5.-Heats of hydrogenation of dichloromethane, 1,1- and 1,2-dichloroethane and 1,2-dichloropropane,
Trans. Faraday Soc., 1967, 63, 1608-1611. [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]
Kirkbride, 1956
Kirkbride, F.W.,
The heats of chlorination of some hydrocarbons and their chloro-derivatives,
J. Appl. Chem., 1956, 6, 11-21. [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]
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]
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, Gas phase thermochemistry data, Condensed phase thermochemistry data, Gas phase ion energetics data, References
- Symbols used in this document:
AE Appearance energy Cp,liquid Constant pressure heat capacity of liquid IE (evaluated) Recommended ionization energy S°liquid Entropy of liquid at standard conditions ΔcH°liquid Enthalpy of combustion of liquid at standard conditions ΔfH°gas Enthalpy of formation of gas at standard conditions ΔfH°liquid Enthalpy of formation of liquid at standard conditions - Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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