Ethene, 1,1-dichloro-
- Formula: C2H2Cl2
- Molecular weight: 96.943
- IUPAC Standard InChI: InChI=1S/C2H2Cl2/c1-2(3)4/h1H2
- IUPAC Standard InChIKey: LGXVIGDEPROXKC-UHFFFAOYSA-N
- CAS Registry Number: 75-35-4
- 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: Ethylene, 1,1-dichloro-; Vinylidene chloride; 1,1-Dichloroethene; 1,1-Dichloroethylene; CH2=CCl2; Chlorure de vinylidene; 1,1-DCE; NCI-C54262; Rcra waste number U078; VDC; Vinylidene dichloride; Vinylidine chloride; 1,1-dichloroethylene (vinylidine chloride); 1,1-dichloroethylene (vinylidene chloride)
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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: C2H3Cl3 = C2H2Cl2 + HCl
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| ΔrH° | 56.9 | kJ/mol | Eqk | Levanova, Bushneva, et al., 1979 | liquid phase |
| ΔrH° | 49.0 | kJ/mol | Eqk | Levanova, Bushneva, et al., 1979 | gas phase |
| ΔrH° | 56.9 ± 2.1 | kJ/mol | Eqk | Levanova, Treger, et al., 1975 | liquid phase; solvent: Nitrobenzene; Flow reactor at 50°C |
=
+
By formula: C2H3Cl3 = C2H2Cl2 + HCl
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| ΔrH° | 51.5 | kJ/mol | Eqk | Levanova, Bushneva, et al., 1979 | gas phase |
| ΔrH° | 65.3 | kJ/mol | Eqk | Levanova, Bushneva, et al., 1979 | liquid phase |
+
=
By formula: C2H2Cl2 + HCl = C2H3Cl3
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| ΔrH° | -54.64 ± 0.84 | kJ/mol | Eqk | Hu, Sinke, et al., 1972 | gas phase; Heat of halogenation at 348-399 K |
=
By formula: C2H2Cl2 = C2H2Cl2
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| ΔrH° | -5.52 | kJ/mol | Eqk | Rozhnov, Levanova, et al., 1974 | liquid phase; solvent: Dichloromethylene; GC |
=
By formula: C2H2Cl2 = C2H2Cl2
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| ΔrH° | -3.5 | kJ/mol | Eqk | Rozhnov, Levanova, et al., 1974 | liquid phase; solvent: Dichloroethylene; GC |
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
Symmetry: C2ν Symmetry Number σ = 2
| Sym. | No | Approximate | Selected Freq. | Infrared | Raman | Comments | ||||
|---|---|---|---|---|---|---|---|---|---|---|
| Species | type of mode | Value | Rating | Value | Phase | Value | Phase | |||
| a1 | 1 | CH2 s-str | 3035 | D | 3035 W | gas | 3035 VS p | liq. | l4 solution | |
| a1 | 2 | CC str | 1627 | C | 1627 VS | gas | 1616 VS p | liq. | ||
| a1 | 3 | CH2 scis | 1400 | C | 1400 M | gas | 1391 M p | liq. | ||
| a1 | 4 | CCl2 s-str | 603 | C | 603 VS | gas | 601 VS p | liq. | ||
| a1 | 5 | CCl2 scis | 299 | C | 299 W | gas | 299 S p | liq. | ||
| a2 | 6 | Torsion | 686 | D | ia | 686 M dp | liq. | |||
| b1 | 7 | CH2 a-str | 3130 | D | 3130 W | gas | 3130 S dp | liq. | l4 solution | |
| b1 | 8 | CH2 rock | 1095 | C | 1095 VS | gas | 1088 VW | liq. | ||
| b1 | 9 | CCl2 a-str | 800 | B | 800 VS | gas | 788 M dp | liq. | ||
| b1 | 10 | CCl2 rock | 372 | C | 372 M | gas | 375 S dp | liq. | ||
| b2 | 11 | CH2 wag | 875 | B | 875 S | gas | 874 W | liq. | ||
| b2 | 12 | CCl2 wag | 460 | B | 460 S | gas | 458 M dp | liq. | ||
Source: Shimanouchi, 1972
Notes
| VS | Very strong |
| S | Strong |
| M | Medium |
| W | Weak |
| VW | Very weak |
| ia | Inactive |
| p | Polarized |
| dp | Depolarized |
| 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.
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]
Levanova, Treger, et al., 1975
Levanova, S.V.; Treger, Yu.A.; Velichko, S.M.; Rozhnov, A.M.; Bshneva, L.I.; Talanov, A.I.,
Equilibrium of the vinylidene chloride-methylchloroform system,
Zh. Prikl. Khim. (Leningrad), 1975, 42, 480-481. [all data]
Hu, Sinke, et al., 1972
Hu, A.T.; Sinke, G.C.; Mintz, M.J.,
The enthalpy of formation of 1,1,1-trichloroethane from enthalpy of combustion and equilibrium studies,
J. Chem. Thermodyn., 1972, 4, 239-245. [all data]
Rozhnov, Levanova, et al., 1974
Rozhnov, A.M.; Levanova, S.V.; Dvornikova, G.A.; Sadovnikova, S.L.,
Equilibrium of isomerization of dichloroethylenes,
J. Appl. Chem. USSR, 1974, 47, 667-669. [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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