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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Reaction thermochemistry data
Go To: Top, Vibrational and/or electronic energy levels, 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: 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 |
Vibrational and/or electronic energy levels
Go To: Top, Reaction 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 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, Reaction thermochemistry 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.
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]
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]
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]
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, Reaction thermochemistry data, Vibrational and/or electronic energy levels, References
- Symbols used in this document:
ΔrH° Enthalpy of reaction at standard conditions - Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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