Ethylene, 1,2-dichloro-, (E)-
- Formula: C2H2Cl2
- Molecular weight: 96.943
- IUPAC Standard InChIKey: KFUSEUYYWQURPO-OWOJBTEDSA-N
- CAS Registry Number: 156-60-5
- 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. - Stereoisomers:
- Other names: Ethene, 1,2-dichloro-, (E)-; (E)-1,2-Dichloroethylene; trans-Di-1,2-Chloroethylene; trans-1,2-Dichloroethene; trans-1,2-Dichloroethylene; (E)-CHCl=CHCl; 1,2-trans-Dichloroethene; (E)-1,2-Dichloroethene; 1,2-trans-Dichloroethylene; trans-Acetylene dichloride; trans-Dichloroethylene; Dichloroethylene, trans-; 1,trans-2-Dichloroethene; Rcra waste number U079; Ethene, 1,2-dichloro-, (1E)-; Ethylene, 1,2-dichloro-, trans-; HCC 1130t; NSC 60512; R 1130t
- Permanent link for this species. Use this link for bookmarking this species for future reference.
- Information on this page:
- Other data available:
- Data at other public NIST sites:
- Options:
Data at NIST subscription sites:
NIST subscription sites provide data under the NIST Standard Reference Data Program, but require an annual fee to access. The purpose of the fee is to recover costs associated with the development of data collections included in such sites. Your institution may already be a subscriber. Follow the links above to find out more about the data in these sites and their terms of usage.
Gas phase thermochemistry data
Go To: Top, Condensed phase thermochemistry data, Phase change data, 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 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 | -1. ± 2. | kJ/mol | Review | Manion, 2002 | based on measurements by 1974RLV of equilbrium with 1,1-dichloroethane; DRB |
ΔfH°gas | 1.7 | kJ/mol | Eqk | Rozhnov, Levanova, et al., 1974 | GC; ALS |
Condensed phase thermochemistry data
Go To: Top, Gas phase thermochemistry data, Phase change data, 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 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 | -30. ± 2.2 | kJ/mol | Review | Manion, 2002 | derived from recommended ΔfHgas° and ΔvapH°; DRB |
ΔfH°liquid | -14.34 | kJ/mol | Eqk | Pitzer and Hollenberg, 1954 | Heat of isomerization at 0K; ALS |
Quantity | Value | Units | Method | Reference | Comment |
ΔcH°liquid | -1095.8 ± 8.4 | kJ/mol | Ccb | Smith, Bjellerup, et al., 1953 | Reanalyzed by Cox and Pilcher, 1970, Original value = -1090. ± 10. kJ/mol; ALS |
Constant pressure heat capacity of liquid
Cp,liquid (J/mol*K) | Temperature (K) | Reference | Comment |
---|---|---|---|
113.0 | 288. | Mehl, 1934 | DH |
Phase change data
Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, 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 as indicated in comments:
BS - Robert L. Brown and Stephen E. Stein
TRC - Thermodynamics Research Center, NIST Boulder Laboratories, Chris Muzny director
DRB - Donald R. Burgess, Jr.
ALS - Hussein Y. Afeefy, Joel F. Liebman, and Stephen E. Stein
AC - William E. Acree, Jr., James S. Chickos
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
Tboil | 321. ± 2. | K | AVG | N/A | Average of 6 values; Individual data points |
Quantity | Value | Units | Method | Reference | Comment |
Tfus | 223. | K | N/A | Broers, Ketelaar, et al., 1950 | Crystal phase 1 phase; Uncertainty assigned by TRC = 0.1 K; TRC |
Quantity | Value | Units | Method | Reference | Comment |
ΔvapH° | 30. ± 1. | kJ/mol | Review | Manion, 2002 | adopted Cox and Pilcher, 1970, 2 recommendation plus a correction for non-ideality; DRB |
ΔvapH° | 29.47 | kJ/mol | V | Ketelaar, Van Velden, et al., 1947 | ALS |
Enthalpy of vaporization
ΔvapH (kJ/mol) | Temperature (K) | Method | Reference | Comment |
---|---|---|---|---|
31.4 | 250. | N/A | Ketelaar, van Velden, et al., 2010 | Based on data from 235. to 358. K.; AC |
29.0 | 336. | A | Stephenson and Malanowski, 1987 | Based on data from 321. to 473. K.; AC |
30.4 | 278. | A | Stephenson and Malanowski, 1987 | Based on data from 263. to 323. K. See also Dykyj, 1970.; AC |
30.1 | 288. | N/A | Machat, 1983 | Based on data from 273. to 319. K.; AC |
Antoine Equation Parameters
log10(P) = A − (B / (T + C))
P = vapor pressure (bar)
T = temperature (K)
View plot Requires a JavaScript / HTML 5 canvas capable browser.
Temperature (K) | A | B | C | Reference | Comment |
---|---|---|---|---|---|
234.96 to 357.99 | 3.94214 | 1064.346 | -50.344 | Ketelaar, van Velden, et al., 1947 | Coefficents calculated by NIST from author's data. |
Vibrational and/or electronic energy levels
Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Phase change 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: 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 | CH str | 3073 | C | ia | 3073 S p | liq. | |||
ag | 2 | CC str | 1578 | C | ia | 1578 S p | liq. | |||
ag | 3 | CH bend | 1274 | C | ia | 1274 S p | liq. | |||
ag | 4 | CCl str | 846 | C | ia | 846 S p | liq. | |||
ag | 5 | CCCl deform | 350 | C | ia | 350 S p | liq. | |||
au | 6 | CH bend | 900 | B | 899.8 VS | gas | ia | |||
au | 7 | Torsion | 227 | C | 227 M | gas | ia | |||
bg | 8 | CH bend | 763 | B | ia | 763 M dp | liq. | |||
bu | 9 | CH str | 3090 | C | 3090 S | gas | ia | |||
bu | 10 | CH bend | 1200 | B | 1200 S | gas | ia | |||
bu | 11 | CCl str | 828 | B | 828 VS | gas | ia | |||
bu | 12 | CCCl deform | 250 | D | 250 W | gas | ia | |||
Source: Shimanouchi, 1972
Notes
VS | Very strong |
S | Strong |
M | Medium |
W | 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, Gas phase thermochemistry data, Condensed phase thermochemistry data, Phase change 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]
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]
Pitzer and Hollenberg, 1954
Pitzer, K.S.; Hollenberg, J.L.,
Cis- and trans-dichloroethylenes. The infrared spectra from 130-400 cm.-1 and the thermodynamic properties,
J. Am. Chem. Soc., 1954, 76, 1493-1496. [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]
Cox and Pilcher, 1970
Cox, J.D.; Pilcher, G.,
Thermochemistry of Organic and Organometallic Compounds, Academic Press, New York, 1970, 1-636. [all data]
Mehl, 1934
Mehl, W.,
Die spezifische Wärme einiger flüssiger Kältemittel,
Z. ges. Kalte-Ind., 1934, 41, 152-153. [all data]
Broers, Ketelaar, et al., 1950
Broers, G.H.J.; Ketelaar, J.A.A.; Van Velden, P.F.,
Melting-point Diagram and Hets of Fusion of cis- and trans-1,2-Dichloro-ethene,
Recl. Trav. Chim. Pays-Bas, 1950, 69, 1122. [all data]
Cox and Pilcher, 1970, 2
Cox, J.D.; Pilcher, G.,
Thermochemistry of Organic and Organometallic Compounds, Academic, London, 1970, 636. [all data]
Ketelaar, Van Velden, et al., 1947
Ketelaar, J.A.A.; Van Velden, P.F.; Zalm, P.,
Vapour pressures and heats of vaporization of cis- and trans-1,2-dichloroethene,
Rec. Trav. Chim. Pays/Bas, 1947, 66, 27. [all data]
Ketelaar, van Velden, et al., 2010
Ketelaar, J.A.A.; van Velden, P.F.; Zalm, P.,
Vapour pressures and heats of vaporization of cis- and trans-1,2-dichloroethene,
Recl. Trav. Chim. Pays-Bas, 2010, 66, 12, 721-732, https://doi.org/10.1002/recl.19470661202
. [all data]
Stephenson and Malanowski, 1987
Stephenson, Richard M.; Malanowski, Stanislaw,
Handbook of the Thermodynamics of Organic Compounds, 1987, https://doi.org/10.1007/978-94-009-3173-2
. [all data]
Dykyj, 1970
Dykyj, J.,
Petrochemica, 1970, 10, 2, 51. [all data]
Machat, 1983
Machat, V.,
, Thesis, Utzcht, Prague, 1983. [all data]
Ketelaar, van Velden, et al., 1947
Ketelaar, J.A.A.; van Velden, P.F.; Zalm, P.,
Vapour Pressures and Heats of Vaporization of cis- and trans-1,2-Dichloroethene,
Recl. Trav. Chim. Pays-Bas, 1947, 66, 12, 721-732, https://doi.org/10.1002/recl.19470661202
. [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, Phase change data, Vibrational and/or electronic energy levels, References
- Symbols used in this document:
Cp,liquid Constant pressure heat capacity of liquid Tboil Boiling point Tfus Fusion (melting) point 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 ΔvapH Enthalpy of vaporization ΔvapH° Enthalpy of vaporization at standard conditions - Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
- The National Institute of Standards and Technology (NIST) uses its best efforts to deliver a high quality copy of the Database and to verify that the data contained therein have been selected on the basis of sound scientific judgment. However, NIST makes no warranties to that effect, and NIST shall not be liable for any damage that may result from errors or omissions in the Database.
- Customer support for NIST Standard Reference Data products.