Benzofuran, 2,3-dihydro-
- Formula: C8H8O
- Molecular weight: 120.1485
- IUPAC Standard InChI: InChI=1S/C8H8O/c1-2-4-8-7(3-1)5-6-9-8/h1-4H,5-6H2
- IUPAC Standard InChIKey: HBEDSQVIWPRPAY-UHFFFAOYSA-N
- CAS Registry Number: 496-16-2
- 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: Coumaran; Dihydrobenzofuran; Dihydrocoumarone; Kumaran; 2,3-Dihydrobenzofuran; 2,3-Dihydrobenzofurane; Coumaran (2,3-dihydrobenzofuran)
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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 as indicated in comments:
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 | -23.85 ± 0.17 | kcal/mol | Ccb | Steele and Chirico, 1990 | ALS |
| Quantity | Value | Units | Method | Reference | Comment |
| ΔcH°liquid | -1001.82 ± 0.15 | kcal/mol | Ccb | Steele and Chirico, 1990 | Corresponding ΔfHºliquid = -23.85 kcal/mol (simple calculation by NIST; no Washburn corrections); ALS |
| Quantity | Value | Units | Method | Reference | Comment |
| S°liquid | 54.118 | cal/mol*K | N/A | Chirico, Nguyen, et al., 1986 | DH |
Constant pressure heat capacity of liquid
| Cp,liquid (cal/mol*K) | Temperature (K) | Reference | Comment |
|---|---|---|---|
| 45.086 | 298.15 | Chirico, Nguyen, et al., 1986 | T = 10 to 450 K.; DH |
References
Go To: Top, Condensed phase thermochemistry data, Notes
Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
Steele and Chirico, 1990
Steele, W.V.; Chirico, R.D.,
Thermodynamics and the hydrodeoxygenation of 2,3-Benzofuran,
Cooperative Agreement No. FC22-83FE60149 (NIPEP-457), IIT Research Institute, NIPEP, Bartlesville, OK 74005, 1990, 1-75. [all data]
Chirico, Nguyen, et al., 1986
Chirico, R.D.; Nguyen, A.; Steele, W.V.; Strube, M.M.; Hossenlopp, I.A.; Gammon, B.E.,
Thermochemical and thermophysical properties of organic compounds derived from fossil substances. Chemical thermodynamic properties of organic oxygen compounds found in fossil materials,
NIPER Report, 1986, 135, 42p. [all data]
Notes
Go To: Top, Condensed phase thermochemistry data, References
- Symbols used in this document:
Cp,liquid Constant pressure heat capacity of liquid S°liquid Entropy of liquid at standard conditions ΔcH°liquid Enthalpy of combustion of liquid at standard conditions ΔfH°liquid Enthalpy of formation of liquid at standard conditions - Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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