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
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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
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
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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 |
---|---|---|---|---|---|
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 |
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
By formula: C2H4Cl2 = C2H3Cl + HCl
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 12.1 ± 1.0 | kcal/mol | Cm | Buravtsev, Grigor'ev, et al., 1992 | gas phase |
ΔrH° | 19.6 | kcal/mol | Eqk | Levanova, Bushneva, et al., 1979 | liquid phase |
ΔrH° | 16.3 | kcal/mol | Eqk | Levanova, Bushneva, et al., 1979 | gas phase |
ΔrH° | 16.24 | kcal/mol | Eqk | Ghosh and Guha, 1951 | liquid phase |
By formula: C2H4Cl2 + 2H2 = C2H6 + 2HCl
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | -34.18 ± 0.23 | kcal/mol | Chyd | Lacher, Amador, et al., 1967 | gas phase; Reanalyzed by Cox and Pilcher, 1970, Original value = -35.32 ± 0.12 kcal/mol; At 250 C |
By formula: C2H4Cl2 + Cl2 = HCl + C2H3Cl3
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | -27.8 | kcal/mol | Cm | Kirkbride, 1956 | liquid phase; Heat of chlorination |
By formula: C2H4Cl2 = C2H4Cl2
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | -2.30 ± 0.33 | kcal/mol | Eqk | Rozhnov, 1968 | gas phase; Heat of isomerization at 385 K |
By formula: C2H4 + Cl2 = C2H4Cl2
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | -43.65 ± 0.15 | kcal/mol | Cm | Conn, Kistiakowsky, et al., 1938 | gas phase; At 355 °K |
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) = k°H exp(d(ln(kH))/d(1/T) ((1/T) - 1/(298.15 K)))
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)
k°H (mol/(kg*bar)) | d(ln(kH))/d(1/T) (K) | Method | Reference | Comment |
---|---|---|---|---|
0.72 | 4200. | L | N/A | |
0.95 | 4300. | M | N/A | |
0.83 | M | N/A | ||
0.82 | 3800. | X | N/A | |
0.87 | 3900. | M | N/A | |
0.85 | 3900. | X | N/A | |
0.84 | Q | N/A | missing citation give several references for the Henry's law constants but don't assign them to specific species. | |
0.64 | 4500. | X | N/A | |
0.69 | 4700. | X | N/A | |
0.64 | 1500. | X | N/A | |
0.86 | 3700. | X | Barr and Newsham, 1987 | |
0.90 | 2400. | X | N/A | |
0.84 | 3500. | X | Leighton and Calo, 1981 | |
0.92 | L | N/A | ||
0.81 | V | N/A | ||
1.0 | C | N/A | ||
0.76 | V | N/A | ||
1.1 | M | Pearson and McConnell, 1975 | The same data was also published in missing citation. Value at T = 293. K. | |
0.83 | 4100. | M | N/A |
Vibrational and/or electronic energy levels
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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: Takehiko Shimanouchi
Trans form Symmetry: C2h Symmetry Number σ = 2
Sym. | No | Approximate | Selected Freq. | Infrared | Raman | Comments | ||||
---|---|---|---|---|---|---|---|---|---|---|
Species | type of mode | Value | Rating | Value | Phase | Value | Phase | |||
ag | 1 | CH2 s-str | 2957 | D | ia | 2957 p | liq. | |||
ag | 2 | CH2 scis | 1445 | C | ia | 1445 dp | liq. | |||
ag | 3 | CH2 wag | 1304 | C | ia | 1304 p | liq. | |||
ag | 4 | CC str | 1052 | C | ia | 1052 p | liq. | |||
ag | 5 | CCl str | 754 | C | ia | 754 p | liq. | |||
ag | 6 | CCCl deform | 300 | C | ia | 300 p | liq. | |||
au | 7 | CH2 a-str | 3005 | D | 3005 W | liq. | ia | SF()gauche ν1, gauche ν11 | ||
au | 8 | CH2 twist | 1123 | B | 1122.5 W | gas | ia | |||
au | 9 | CH2 rock | 773 | B | 772.5 M | gas | ia | |||
au | 10 | Torsion | 123 | C | 123 M | gas | ia | |||
bg | 11 | CH2 a-str | 3005 | D | ia | 3005 dp | liq. | |||
bg | 12 | CH2 twist | 1264 | C | ia | 1264 dp | liq. | |||
bg | 13 | CH2 rock | 989 | C | ia | 989 p | liq. | |||
bu | 14 | CH2 s-str | 2983 | C | 2983.3 M | gas | ia | |||
bu | 15 | CH2 scis | 1461 | A | 1460.6 S | gas | ia | |||
bu | 16 | CH2 wag | 1232 | B | 1232.3 S | gas | ia | |||
bu | 17 | CCl str | 728 | C | 728.3 VS | gas | ia | |||
bu | 18 | CCCl deform | 222 | C | 222.3 W | gas | ia | |||
Source: Shimanouchi, 1972
Gauche form Symmetry: C2 Symmetry Number σ = 2
Sym. | No | Approximate | Selected Freq. | Infrared | Raman | Comments | ||||
---|---|---|---|---|---|---|---|---|---|---|
Species | type of mode | Value | Rating | Value | Phase | Value | Phase | |||
a | 1 | CH2 a-str | 3005 | D | 3005 W | liq. | 3005 dp | liq. | SF(ν11, )trans ν7 | |
a | 2 | CH2 s-str | 2957 | D | 2957 M | liq. | 2957 p | liq. | SF()trans ν1, trans ν14 | |
a | 3 | CH2 scis | 1433 | C | 1433 M | liq. | 1429 dp | liq. | OV(ν13) | |
a | 4 | CH2 wag | 1315 | C | 1315 W | gas | 1304 | liq. | ||
a | 5 | CH2 twist | 1207 | C | 1207 p | liq. | ||||
a | 6 | CC str | 1027 | D | 1027 W | gas | 1031 dp | liq. | ||
a | 7 | CH2 rock | 948 | B | 947.7 M | gas | 943 p | liq. | ||
a | 8 | CCl str | 669 | C | 669 M | gas | 654 p | liq. | ||
a | 9 | CCCl deform | 272 | D | 272 VW | liq. | 265 p | liq. | ||
a | 10 | Torsion | 125 | liq. | ||||||
b | 11 | CH2 a-str | 3005 | D | 3005 W | gas | 3005 dp | liq. | SF(ν1, )trans ν7 | |
b | 12 | CH2 s-str | 2957 | C | 2957.2 W | gas | ||||
b | 13 | CH2 scis | 1436 | B | 1436.3 W | gas | ||||
b | 14 | CH2 wag | 1292 | B | 1292.1 S | gas | ||||
b | 15 | CH2 twist | 1146 | D | 1146 W | gas | 1145 dp | liq. | ||
b | 16 | CH2 rock | 890 | B | 890.3 M | gas | 881 dp | liq. | ||
b | 17 | CCl str | 693 | B | 692.5 W | gas | 677 dp | liq. | ||
b | 18 | CCCl deform | 410 | C | 409.6 M | gas | 411 dp | liq. | ||
Source: Shimanouchi, 1972
Notes
VS | Very strong |
S | Strong |
M | Medium |
W | Weak |
VW | Very weak |
ia | Inactive |
p | Polarized |
dp | Depolarized |
SF | Calculation shows that the frequency approximately equals that of the vibration indicated in the parentheses. |
OV | Overlapped by band indicated in parentheses. |
A | 0~1 cm-1 uncertainty |
B | 1~3 cm-1 uncertainty |
C | 3~6 cm-1 uncertainty |
D | 6~15 cm-1 uncertainty |
References
Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Reaction thermochemistry data, Henry's Law data, Vibrational and/or electronic energy levels, 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]
Buravtsev, Grigor'ev, et al., 1992
Buravtsev, N.N.; Grigor'ev, A.S.; Zaidman, O.A.; Kolbanovskii, Yu.A.; Markelov, M.YU.; Sadogurskii, M.N.; Treger, Yu.A.,
Dehydrochlorination of chloroalkanes under rigid homogeneous conditions. II. Effect of small additions of oxygen to the kinetics of high-temperature decomposition of 1,2-dichloroethane under adiabatic compression,
Khim. Fiz., 1992, 11, 218-226. [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]
Ghosh and Guha, 1951
Ghosh, J.C.; Guha, S.R.D.,
Catalytic dehydrochlorination of ethylene dichloride,
Petroleum (London), 1951, 14, 261-264. [all data]
Rozhnov, 1968
Rozhnov, A.M.,
Equilibrium of dichloroethane isomerization,
Neftekhimiya, 1968, 8, 431-434. [all data]
Conn, Kistiakowsky, et al., 1938
Conn, J.B.; Kistiakowsky, G.B.; Smith, E.A.,
Heats of organic reactions. VII. Addition of halogens to olefins,
J. Am. Chem. Soc., 1938, 60, 2764-2771. [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]
Shimanouchi, 1972
Shimanouchi, T.,
Tables of Molecular Vibrational Frequencies Consolidated Volume I, National Bureau of Standards, 1972, 1-160. [all data]
Notes
Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Reaction thermochemistry data, Henry's Law data, Vibrational and/or electronic energy levels, References
- Symbols used in this document:
Cp,liquid Constant pressure heat capacity of liquid S°liquid Entropy of liquid at standard conditions d(ln(kH))/d(1/T) Temperature dependence parameter for Henry's Law constant k°H Henry's Law constant at 298.15K 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 ΔrH° Enthalpy of reaction at standard conditions - Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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