Benzofuran
- Formula: C8H6O
- Molecular weight: 118.1326
- IUPAC Standard InChI: InChI=1S/C8H6O/c1-2-4-8-7(3-1)5-6-9-8/h1-6H
- IUPAC Standard InChIKey: IANQTJSKSUMEQM-UHFFFAOYSA-N
- CAS Registry Number: 271-89-6
- 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: Benzofurfuran; Benzo[b]furan; Coumarone; 1-Oxindene; 2,3-Benzofuran; NCI-C56166; Cumarone
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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 as indicated in comments:
BS - Robert L. Brown and Stephen E. Stein
TRC - Thermodynamics Research Center, NIST Boulder Laboratories, Chris Muzny director
ALS - Hussein Y. Afeefy, Joel F. Liebman, and Stephen E. Stein
DRB - Donald R. Burgess, Jr.
AC - William E. Acree, Jr., James S. Chickos
DH - Eugene S. Domalski and Elizabeth D. Hearing
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| Tboil | 447.2 | K | N/A | Weast and Grasselli, 1989 | BS |
| Tboil | 444.15 | K | N/A | Cooper, Crowne, et al., 1967 | Uncertainty assigned by TRC = 0.5 K; TRC |
| Tboil | 442.15 | K | N/A | Gordy and Burrus, 1954 | Uncertainty assigned by TRC = 1.5 K; TRC |
| Tboil | 447.15 | K | N/A | Perkin, 1896 | Uncertainty assigned by TRC = 0.5 K; TRC |
| Quantity | Value | Units | Method | Reference | Comment |
| ΔvapH° | 48.4 ± 0.2 | kJ/mol | V | Steele and Chirico, 1990 | ALS |
| ΔvapH° | 48.4 | kJ/mol | N/A | Steele and Chirico, 1990 | DRB |
Reduced pressure boiling point
| Tboil (K) | Pressure (bar) | Reference | Comment |
|---|---|---|---|
| 335. - 336. | 0.020 | Frinton Laboratories Inc., 1986 | BS |
| 439.6 - 441. | 0.980 | Buckingham and Donaghy, 1982 | BS |
| 370.6 - 372. | 0.11 | Buckingham and Donaghy, 1982 | BS |
Enthalpy of vaporization
| ΔvapH (kJ/mol) | Temperature (K) | Method | Reference | Comment |
|---|---|---|---|---|
| 46.2 | 338. | A | Stephenson and Malanowski, 1987 | Based on data from 323. - 403. K.; AC |
Temperature of phase transition
| Ttrs (K) | Initial Phase | Final Phase | Reference | Comment |
|---|---|---|---|---|
| 232.000 | crystaline, II | crystaline, I | Chirico, Nguyen, et al., 1986 | DH |
| 245.482 | crystaline, I | liquid | Chirico, Nguyen, et al., 1986 | DH |
References
Go To: Top, Phase change data, Notes
Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
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]
Cooper, Crowne, et al., 1967
Cooper, A.R.; Crowne, C.W.P.; Farrell, P.G.,
Gas-Liquid Chromatographic Studies of Electron-Donor-Acceptor Systems,
Trans. Faraday Soc., 1967, 63, 447. [all data]
Gordy and Burrus, 1954
Gordy, W.; Burrus, C.H.,
Phys. Rev., 1954, 93, 419. [all data]
Perkin, 1896
Perkin, W.H.,
LXIX. On Magnetic Rotatory Power, especially of Aromatic Compounds,
J. Chem. Soc., 1896, 69, 1025-1257. [all data]
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]
Frinton Laboratories Inc., 1986
Frinton Laboratories Inc.,
Catalog Number 11, Frinton Laboratories Inc., Vineland, NJ, 1986, 99. [all data]
Buckingham and Donaghy, 1982
Buckingham, J.; Donaghy, S.M.,
Dictionary of Organic Compounds: Fifth Edition, Chapman and Hall, New York, 1982, 1. [all data]
Stephenson and Malanowski, 1987
Stephenson, Richard M.; Malanowski, Stanislaw,
Handbook of the Thermodynamics of Organic Compounds, 1987, https://doi.org/10.1007/978-94-009-3173-2
. [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, Phase change data, References
- Symbols used in this document:
Tboil Boiling point Ttrs Temperature of phase transition ΔvapH Enthalpy of vaporization ΔvapH° Enthalpy of vaporization at standard conditions - Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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