Ethane, 1,2-dichloro-

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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

Ethane, 1,2-dichloro- = Ethene, chloro- + Hydrogen chloride

By formula: C2H4Cl2 = C2H3Cl + HCl

Quantity Value Units Method Reference Comment
Δr12.1 ± 1.0kcal/molCmBuravtsev, Grigor'ev, et al., 1992gas phase
Δr19.6kcal/molEqkLevanova, Bushneva, et al., 1979liquid phase
Δr16.3kcal/molEqkLevanova, Bushneva, et al., 1979gas phase
Δr16.24kcal/molEqkGhosh and Guha, 1951liquid phase

Ethane, 1,2-dichloro- + 2Hydrogen = Ethane + 2Hydrogen chloride

By formula: C2H4Cl2 + 2H2 = C2H6 + 2HCl

Quantity Value Units Method Reference Comment
Δr-34.18 ± 0.23kcal/molChydLacher, Amador, et al., 1967gas phase; Reanalyzed by Cox and Pilcher, 1970, Original value = -35.32 ± 0.12 kcal/mol; At 250 C

Ethane, 1,2-dichloro- + Chlorine = Hydrogen chloride + Ethane, 1,1,2-trichloro-

By formula: C2H4Cl2 + Cl2 = HCl + C2H3Cl3

Quantity Value Units Method Reference Comment
Δr-27.8kcal/molCmKirkbride, 1956liquid phase; Heat of chlorination

Ethane, 1,1-dichloro- = Ethane, 1,2-dichloro-

By formula: C2H4Cl2 = C2H4Cl2

Quantity Value Units Method Reference Comment
Δr-2.30 ± 0.33kcal/molEqkRozhnov, 1968gas phase; Heat of isomerization at 385 K

Ethylene + Chlorine = Ethane, 1,2-dichloro-

By formula: C2H4 + Cl2 = C2H4Cl2

Quantity Value Units Method Reference Comment
Δr-43.65 ± 0.15kcal/molCmConn, Kistiakowsky, et al., 1938gas phase; At 355 °K

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. SF11, )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. OV13)
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. SF1, )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

VSVery strong
SStrong
MMedium
WWeak
VWVery weak
iaInactive
pPolarized
dpDepolarized
SFCalculation shows that the frequency approximately equals that of the vibration indicated in the parentheses.
OVOverlapped by band indicated in parentheses.
A0~1 cm-1 uncertainty
B1~3 cm-1 uncertainty
C3~6 cm-1 uncertainty
D6~15 cm-1 uncertainty

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.

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

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