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 | -99.78 ± 0.72 | kJ/mol | Ccb | Steele and Chirico, 1990 | ALS |
| Quantity | Value | Units | Method | Reference | Comment |
| ΔcH°liquid | -4191.62 ± 0.62 | kJ/mol | Ccb | Steele and Chirico, 1990 | Corresponding ΔfHºliquid = -99.78 kJ/mol (simple calculation by NIST; no Washburn corrections); ALS |
| Quantity | Value | Units | Method | Reference | Comment |
| S°liquid | 226.43 | J/mol*K | N/A | Chirico, Nguyen, et al., 1986 | DH |
Constant pressure heat capacity of liquid
| Cp,liquid (J/mol*K) | Temperature (K) | Reference | Comment |
|---|---|---|---|
| 188.64 | 298.15 | Chirico, Nguyen, et al., 1986 | T = 10 to 450 K.; DH |
Phase change data
Go To: Top, 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 as indicated in comments:
BS - Robert L. Brown and Stephen E. Stein
DH - Eugene S. Domalski and Elizabeth D. Hearing
ALS - Hussein Y. Afeefy, Joel F. Liebman, and Stephen E. Stein
DRB - Donald R. Burgess, Jr.
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| Tboil | 461.7 | K | N/A | Weast and Grasselli, 1989 | BS |
| Quantity | Value | Units | Method | Reference | Comment |
| Tfus | 250.890 | K | N/A | Chirico, Nguyen, et al., 1986 | DH |
| Quantity | Value | Units | Method | Reference | Comment |
| ΔvapH° | 53.3 ± 0.06 | kJ/mol | V | Steele and Chirico, 1990 | ALS |
| ΔvapH° | 53.3 | kJ/mol | N/A | Steele and Chirico, 1990 | DRB |
Reduced pressure boiling point
| Tboil (K) | Pressure (bar) | Reference | Comment |
|---|---|---|---|
| 357.2 | 0.023 | Weast and Grasselli, 1989 | BS |
References
Go To: Top, Condensed phase thermochemistry data, Phase change 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]
Weast and Grasselli, 1989
CRC Handbook of Data on Organic Compounds, 2nd Editon, Weast,R.C and Grasselli, J.G., ed(s)., CRC Press, Inc., Boca Raton, FL, 1989, 1. [all data]
Notes
Go To: Top, Condensed phase thermochemistry data, Phase change data, References
- Symbols used in this document:
Cp,liquid Constant pressure heat capacity of liquid S°liquid Entropy of liquid at standard conditions Tboil Boiling point Tfus Fusion (melting) point ΔcH°liquid Enthalpy of combustion of liquid at standard conditions ΔfH°liquid Enthalpy of formation 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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