Ethyne, dichloro-
- Formula: C2Cl2
- Molecular weight: 94.927
- IUPAC Standard InChI: InChI=1S/C2Cl2/c3-1-2-4
- IUPAC Standard InChIKey: ZMJOVJSTYLQINE-UHFFFAOYSA-N
- CAS Registry Number: 7572-29-4
- 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. - Species with the same structure:
- Other names: Acetylene, dichloro-; Dichloroacetylene; Dichloroethyne; ClC≡CCl; C2Cl2
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Reaction thermochemistry data
Go To: Top, Gas phase ion energetics 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: 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: C2H2Cl2 = H2 + C2Cl2
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| ΔrH° | 16. | kJ/mol | Kin | Laursen and Pimentel, 1989 | gas phase; Photolysis |
Gas phase ion energetics data
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 evaluated as indicated in comments:
L - Sharon G. Lias
Data compiled as indicated in comments:
LBLHLM - Sharon G. Lias, John E. Bartmess, Joel F. Liebman, John L. Holmes, Rhoda D. Levin, and W. Gary Mallard
LLK - Sharon G. Lias, Rhoda D. Levin, and Sherif A. Kafafi
RDSH - Henry M. Rosenstock, Keith Draxl, Bruce W. Steiner, and John T. Herron
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| IE (evaluated) | 9.9 | eV | N/A | N/A | L |
Ionization energy determinations
| IE (eV) | Method | Reference | Comment |
|---|---|---|---|
| 9.9 | PE | Maier and Thommen, 1984 | LBLHLM |
| 10.03 ± 0.01 | PE | Klapstein, Maier, et al., 1983 | LBLHLM |
| 10.0 | PE | Bock, Ried, et al., 1981 | LLK |
| 10.3 ± 0.1 | EI | Kloster-Jensen, Pascual, et al., 1970 | RDSH |
| 10.09 | PE | Heilbronner, Hornung, et al., 1970 | Vertical value; RDSH |
Appearance energy determinations
| Ion | AE (eV) | Other Products | Method | Reference | Comment |
|---|---|---|---|---|---|
| CCl+ | 15.4 ± 0.1 | CCl | EI | Kloster-Jensen, Pascual, et al., 1970 | RDSH |
References
Go To: Top, Reaction thermochemistry data, Gas phase ion energetics data, Notes
Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
Laursen and Pimentel, 1989
Laursen, S.L.; Pimentel, G.C.,
Matrix-induced intersystem crossing in the photochemistry of the 1,2-dichloroethenes,
J. Phys. Chem., 1989, 93, 2328-2333. [all data]
Maier and Thommen, 1984
Maier, J.P.; Thommen, F.,
Relaxation dynamics of open-shell cations studied by photoelectron-photon coincidence spectroscopy,
Gas Phase Ion Chem., 1984, 3, 357. [all data]
Klapstein, Maier, et al., 1983
Klapstein, D.; Maier, J.P.; Zambach, W.,
Emission spectra of rotationally cooled dihaloacetylene cations in the gas phase: A2Π(Ω,g) → x2Π(Ω,u) band systems,
Chem. Phys., 1983, 77, 463. [all data]
Bock, Ried, et al., 1981
Bock, H.; Ried, W.; Stein, U.,
Analyse und optimierung von gasphasen-reaktionen, 19. Pyrolyse von cyclobuten-1,2-dionen zu acetylenen,
Chem. Ber., 1981, 114, 673. [all data]
Kloster-Jensen, Pascual, et al., 1970
Kloster-Jensen, E.; Pascual, C.; Vogt, J.,
Mass spectrometric studies of mono- and di-haloacetylenes,,
Helv. Chim. Acta, 1970, 53, 2109. [all data]
Heilbronner, Hornung, et al., 1970
Heilbronner, E.; Hornung, V.; Kloster-Jensen, E.,
Die Photoelektron-Spektren der Dihalogen-acetylene,
Helv. Chim. Acta, 1970, 53, 331. [all data]
Notes
Go To: Top, Reaction thermochemistry data, Gas phase ion energetics data, References
- Symbols used in this document:
AE Appearance energy IE (evaluated) Recommended ionization energy ΔrH° Enthalpy of reaction at standard conditions - Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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