6H-Dibenzo[b,d]-pyran
- Formula: C13H10O
- Molecular weight: 182.2179
- IUPAC Standard InChI: InChI=1S/C13H10O/c1-2-6-11-10(5-1)9-14-13-8-4-3-7-12(11)13/h1-8H,9H2
- IUPAC Standard InChIKey: BEUDCHGZCTUAOG-UHFFFAOYSA-N
- CAS Registry Number: 229-95-8
- 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: 6H-Dibenzo[b,d]pyrane
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Condensed phase thermochemistry data
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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 |
|---|---|---|---|---|---|
| ΔcH°liquid | -1549.0 ± 0.9 | kcal/mol | Ccb | Cass, Fletcher, et al., 1958 | Corresponding ΔfHºliquid = -15.2 kcal/mol (simple calculation by NIST; no Washburn corrections) |
Phase change data
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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 |
|---|---|---|---|---|---|
| ΔvapH° | 21.2 | kcal/mol | V | Cass, Fletcher, et al., 1958 |
Gas phase ion energetics data
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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, Rhoda D. Levin, and Sherif A. Kafafi
View reactions leading to C13H10O+ (ion structure unspecified)
Appearance energy determinations
| Ion | AE (eV) | Other Products | Method | Reference | Comment |
|---|---|---|---|---|---|
| C13H9O+ | 11.4 ± 0.1 | H | PE | Bouchoux and Dagaut, 1981 |
References
Go To: Top, Condensed phase thermochemistry data, Phase change 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.
Cass, Fletcher, et al., 1958
Cass, R.C.; Fletcher, S.E.; Mortimer, C.T.; Springall, H.D.; White, T.R.,
Heats of combustion and molecular structure. Part V. The mean bond energy term for the C-O bond in ethers, and the structures of some cyclic ethers,
J. Chem. Soc., 1958, 1406-1410. [all data]
Bouchoux and Dagaut, 1981
Bouchoux, G.; Dagaut, J.,
Mechanisms of formation of [M-HCO]+ and [M-C6H5CO]+ ions from isomers of 1,4-benzodioxin derivatives,
Org. Mass Spectrom., 1981, 16, 246. [all data]
Notes
Go To: Top, Condensed phase thermochemistry data, Phase change data, Gas phase ion energetics data, References
- Symbols used in this document:
AE Appearance energy ΔcH°liquid Enthalpy of combustion of liquid at standard conditions ΔvapH° Enthalpy of vaporization at standard conditions - Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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