Dibenzofuran
- Formula: C12H8O
- Molecular weight: 168.1913
- IUPAC Standard InChI: InChI=1S/C12H8O/c1-3-7-11-9(5-1)10-6-2-4-8-12(10)13-11/h1-8H
- IUPAC Standard InChIKey: TXCDCPKCNAJMEE-UHFFFAOYSA-N
- CAS Registry Number: 132-64-9
- 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: [1,1'-Biphenyl]-2,2'-diyl oxide; Dibenzo[b,d]furan; Diphenylene oxide; 2,2'-Biphenylene oxide; 2,2'-Biphenylylene oxide; Dibenzofurane
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Gas phase thermochemistry data
Go To: Top, Gas phase ion energetics data, IR Spectrum, 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:
ALS - Hussein Y. Afeefy, Joel F. Liebman, and Stephen E. Stein
GT - Glushko Thermocenter, Russian Academy of Sciences, Moscow
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| ΔfH°gas | 47.3 ± 4.8 | kJ/mol | Ccb | Sabbah, 1991 | see Sabbah and Antipine, 1987 and Chirico, Gammon, et al., 1990; ALS |
Constant pressure heat capacity of gas
| Cp,gas (J/mol*K) | Temperature (K) | Reference | Comment |
|---|---|---|---|
| 104.68 | 200. | Klots T.D., 1996 | GT |
| 133.95 | 250. | ||
| 163.05 | 298.15 | ||
| 164.21 | 300. | ||
| 193.48 | 350. | ||
| 220.83 | 400. | ||
| 245.61 | 450. | ||
| 267.81 | 500. | ||
| 287.52 | 550. | ||
| 305.14 | 600. | ||
| 329.34 | 650. | ||
| 334.74 | 700. |
Gas phase ion energetics data
Go To: Top, Gas phase thermochemistry data, IR Spectrum, 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:
LLK - Sharon G. Lias, Rhoda D. Levin, and Sherif A. Kafafi
RDSH - Henry M. Rosenstock, Keith Draxl, Bruce W. Steiner, and John T. Herron
Ionization energy determinations
| IE (eV) | Method | Reference | Comment |
|---|---|---|---|
| 8.77 | EI | Terlouw, Heerma, et al., 1974 | LLK |
| 8.22 | PE | Dewar, Harget, et al., 1970 | RDSH |
| 7.9 ± 0.05 | PE | Eland, 1969 | RDSH |
| 8.09 | PE | Ruscic, Kovac, et al., 1978 | Vertical value; LLK |
IR Spectrum
Go To: Top, Gas phase thermochemistry data, Gas phase ion energetics data, References, Notes
Data compiled by: Coblentz Society, Inc.
Data compiled by: NIST Mass Spectrometry Data Center, William E. Wallace, director
References
Go To: Top, Gas phase thermochemistry data, Gas phase ion energetics data, IR Spectrum, Notes
Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
Sabbah, 1991
Sabbah, R.,
Thermodynamic study of fluorene and dibenzofuran,
Bull. Soc. Chim. Fr., 1991, 128, 350. [all data]
Sabbah and Antipine, 1987
Sabbah, R.; Antipine, I.,
Thermodynamic study on four polycycles. Relationship between their energy values and their structure,
Bull. Soc. Chim. Fr., 1987, 392-400. [all data]
Chirico, Gammon, et al., 1990
Chirico, R.D.; Gammon, B.E.; Knipmeyer, S.E.; Nguyen, A.; Strube, M.M.; Tsonopoulos, C.; Steele, W.V.,
The thermodyanmic properties of dibenzofuran,
J. Chem. Thermodyn., 1990, 22, 1075-1096. [all data]
Klots T.D., 1996
Klots T.D.,
Vibrational spectra, structure, assignment, and ideal-gas thermodynamics of a three-ring molecule: dibenzofuran,
J. Mol. Struct., 1996, 380, 1-14. [all data]
Terlouw, Heerma, et al., 1974
Terlouw, J.K.; Heerma, W.; Frintrop, P.C.M.; Dijkstra, G.; Meinema, H.A.,
Electron-impact induced fragmentation of some heterocyclic-tin compounds,
J. Organomet. Chem., 1974, 64, 205. [all data]
Dewar, Harget, et al., 1970
Dewar, M.J.S.; Harget, A.J.; Trinajstic, N.; Worley, S.D.,
Ground states of conjugated molecules-XXI.Benzofurans and benzopyrroles,
Tetrahedron, 1970, 26, 4505. [all data]
Eland, 1969
Eland, J.H.D.,
Photoelectron spectra of conjugated hydrocarbons and heteromolecules,
Intern. J. Mass Spectrom. Ion Phys., 1969, 2, 471. [all data]
Ruscic, Kovac, et al., 1978
Ruscic, B.; Kovac, B.; Klasinc, L.; Gusten, H.,
Photoelectron spectroscopy of J. Heterocycl. Chem.. Fluorene analogues,
Z. Naturforsch. A:, 1978, 33, 1006. [all data]
Notes
Go To: Top, Gas phase thermochemistry data, Gas phase ion energetics data, IR Spectrum, References
- Symbols used in this document:
Cp,gas Constant pressure heat capacity of gas ΔfH°gas Enthalpy of formation of gas at standard conditions - Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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