Dibenzo[b,e][1,4]dioxin, 2-chloro-
- Formula: C12H7ClO2
- Molecular weight: 218.636
- IUPAC Standard InChI: InChI=1S/C12H7ClO2/c13-8-5-6-11-12(7-8)15-10-4-2-1-3-9(10)14-11/h1-7H
- IUPAC Standard InChIKey: GIUGGRUEPHPVNR-UHFFFAOYSA-N
- CAS Registry Number: 39227-54-8
- Chemical structure:
This structure is also available as a 2d Mol file or as a computed 3d SD file
View 3d structure (requires JavaScript / HTML 5) - Other names: 2-Chlorodibenzo-p-dioxin; Dibenzo-p-dioxin, 2-chloro-; 2-Chlorodibenzo-para-dioxin
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Gas phase thermochemistry data
Go To: Top, Condensed phase thermochemistry data, 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
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| ΔfH°gas | -74.1 ± 3.3 | kJ/mol | Ccr | Papina, Kolesov, et al., 1996 |
Condensed phase thermochemistry data
Go To: Top, Gas phase thermochemistry data, 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
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| ΔfH°solid | -171.3 ± 3.2 | kJ/mol | Ccr | Papina, Kolesov, et al., 1996 | |
| Quantity | Value | Units | Method | Reference | Comment |
| ΔcH°solid | -5574.8 ± 2.8 | kJ/mol | Ccr | Papina, Kolesov, et al., 1996 |
Gas phase ion energetics data
Go To: Top, Gas phase thermochemistry data, Condensed phase 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: Sharon G. Lias and Joel F. Liebman
Ionization energy determinations
| IE (eV) | Method | Reference |
|---|---|---|
| 7.707 ± 0.002 | LS | Zimmermann, Boesl, et al., 1995 |
References
Go To: Top, Gas phase thermochemistry data, Condensed phase 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.
Papina, Kolesov, et al., 1996
Papina, T.S.; Kolesov, V.P.; Vorobieva, V.P.; Golovkov, V.F.,
The standard molar enthalpy of formation of 2-chlorodibenzo-p-dioxin,
J. Chem. Thermodyn., 1996, 28, 307-311. [all data]
Zimmermann, Boesl, et al., 1995
Zimmermann, R.; Boesl, U.; Lenoir, D.; Kettrup, A.; Grebner, T.L.; Neusser, H.J.,
The ionization energies of polychlorinated dibenzo-p-dioxins: new experimental results and theoretical studies,
Int. J. Mass Spectrom. Ion Processes, 1995, 145, 97. [all data]
Notes
Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Gas phase ion energetics data, References
- Symbols used in this document:
ΔcH°solid Enthalpy of combustion of solid at standard conditions ΔfH°gas Enthalpy of formation of gas at standard conditions ΔfH°solid Enthalpy of formation of solid at standard conditions - Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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