Tetrachloroethylene
- Formula: C2Cl4
- Molecular weight: 165.833
- IUPAC Standard InChI: InChI=1S/C2Cl4/c3-1(4)2(5)6
- IUPAC Standard InChIKey: CYTYCFOTNPOANT-UHFFFAOYSA-N
- CAS Registry Number: 127-18-4
- 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: Ethene, tetrachloro-; Ethylene, tetrachloro-; Ankilostin; Antisal 1; Didakene; Ethylene tetrachloride; Fedal-Un; Nema; Perchlorethylene; Perchloroethylene; Perclene; PerSec; Tetlen; Tetracap; Tetrachlorethylene; Tetrachloroethene; Tetraguer; Tetraleno; Tetropil; 1,1,2,2-Tetrachloroethylene; C2Cl4; Carbon bichloride; Carbon dichloride; Czterochloroetylen; ENT 1,860; Nema, veterinary; NCI-C04580; Perawin; Perchloorethyleen, per; Perchloraethylen, per; Perchlorethylene, per; Percloroetilene; PERC; Tetrachlooretheen; Tetrachloraethen; Tetracloroetene; Tetralex; Antisol 1; Dow-per; Perchlor; Perclene D; Percosolve; PERK; Perklone; RCRA Waste Number U210; Tetravec; Tetroguer; UN 1897; Dilatin PT; 1,1,2,2-Tetrachloroethene; Freon 1110; Perclene TG; Perchloroethene; F 1110
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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: C2HCl5 = C2Cl4 + HCl
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| ΔrH° | 10.8 ± 1.1 | kcal/mol | Eqk | Levanova, Bushneva, et al., 1979 | liquid phase; GC |
| ΔrH° | 9.3 | kcal/mol | Eqk | Levanova, Bushneva, et al., 1979 | gas phase |
+
=
By formula: C2Cl4 + Cl2 = C2Cl6
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| ΔrH° | -36.70 ± 0.60 | kcal/mol | Cm | Kirkbride, 1956 | liquid phase; Reanalyzed by Cox and Pilcher, 1970, Original value = -37. kcal/mol |
By formula: H2CaO2 + 2C2HCl5 = CaCl2 + 2C2Cl4 + 2H2O
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| ΔrH° | -43.40 | kcal/mol | Cm | Kirkbride, 1956 | liquid phase |
=
+
By formula: C2Cl6 = C2Cl4 + Cl2
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| ΔrH° | 31.7 ± 1.0 | kcal/mol | Eqk | Puyo, Balesdent, et al., 1963 | gas phase |
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: D2h Symmetry Number σ = 4
| Sym. | No | Approximate | Selected Freq. | Infrared | Raman | Comments | ||||
|---|---|---|---|---|---|---|---|---|---|---|
| Species | type of mode | Value | Rating | Value | Phase | Value | Phase | |||
| ag | 1 | CC str | 1571 | D | ia | 1571 p | liq. | |||
| ag | 2 | CCl2 s-str | 447 | D | ia | 447 p | liq. | |||
| ag | 3 | CCl2 scis | 237 | D | ia | 237 p | liq. | |||
| au | 4 | CCl2 twist | 110 | E | ia | ia | OC(2ν4) | |||
| b1g | 5 | CCl2 a-str | 1000 | D | ia | 1000 | liq. | |||
| b1g | 6 | CCl2 rock | 347 | D | ia | 347 dp | liq. | |||
| b1u | 7 | CCl2 wag | 288 | D | 288 M | liq. | ia | |||
| b2g | 8 | CCl2 wag | 512 | D | ia | 512 dp | liq. | |||
| b2u | 9 | CCl2 a-str | 908 | C | 908 S | solid solid | ia | |||
| b2u | 10 | CCl2 rock | 176 | C | 176 S | liq. | ia | |||
| b3u | 11 | CCl2 s-str | 777 | C | 777 S | solid solid | ia | |||
| b3u | 12 | CCl2 scis | 310 | C | 310 W | liq. | ia | |||
Source: Shimanouchi, 1972
Notes
| S | Strong |
| M | Medium |
| W | Weak |
| ia | Inactive |
| p | Polarized |
| dp | Depolarized |
| OC | Frequency estimated from an overtone or a combination tone indicated in the parentheses. |
| C | 3~6 cm-1 uncertainty |
| D | 6~15 cm-1 uncertainty |
| E | 15~30 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]
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]
Cox and Pilcher, 1970
Cox, J.D.; Pilcher, G.,
Thermochemistry of Organic and Organometallic Compounds, Academic Press, New York, 1970, 1-636. [all data]
Puyo, Balesdent, et al., 1963
Puyo, J.; Balesdent, D.; Niclause, M.; Dzierzynski, M.,
Etude analytique et thermodynamique de la pyrolyse de l'hexachloroethane en phase gazeuse.,
Compt. Rend., 1963, 256, 3471-3473. [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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