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, 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:
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 | 11.3 ± 1.1 | kcal/mol | Ccb | Sabbah, 1991 | see Sabbah and Antipine, 1987 and Chirico, Gammon, et al., 1990; ALS |
Constant pressure heat capacity of gas
| Cp,gas (cal/mol*K) | Temperature (K) | Reference | Comment |
|---|---|---|---|
| 25.019 | 200. | Klots T.D., 1996 | GT |
| 32.015 | 250. | ||
| 38.970 | 298.15 | ||
| 39.247 | 300. | ||
| 46.243 | 350. | ||
| 52.780 | 400. | ||
| 58.702 | 450. | ||
| 64.008 | 500. | ||
| 68.719 | 550. | ||
| 72.930 | 600. | ||
| 78.714 | 650. | ||
| 80.005 | 700. |
Condensed phase thermochemistry data
Go To: Top, Gas 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:
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°solid | -7.0 ± 1.1 | kcal/mol | Ccb | Sabbah, 1991 | see Sabbah and Antipine, 1987 and Chirico, Gammon, et al., 1990; ALS |
| Quantity | Value | Units | Method | Reference | Comment |
| ΔcH°solid | -1394.9 ± 1.1 | kcal/mol | Ccb | Sabbah, 1991 | see Sabbah and Antipine, 1987 and Chirico, Gammon, et al., 1990; Corresponding ΔfHºsolid = -6.96 kcal/mol (simple calculation by NIST; no Washburn corrections); ALS |
| ΔcH°solid | -1400.5 ± 1.0 | kcal/mol | Ccb | Cass, Fletcher, et al., 1958 | Corresponding ΔfHºsolid = -1.4 kcal/mol (simple calculation by NIST; no Washburn corrections); ALS |
| Quantity | Value | Units | Method | Reference | Comment |
| S°solid,1 bar | 46.888 | cal/mol*K | N/A | Chirico, Gammon, et al., 1990 | crystaline, I phase; S (298.15 K, liq) = 244.97 J/mol*K.; DH |
Constant pressure heat capacity of solid
| Cp,solid (cal/mol*K) | Temperature (K) | Reference | Comment |
|---|---|---|---|
| 47.565 | 298.15 | Chirico, Gammon, et al., 1990 | crystaline, I phase; T = 5 to 720 K. Data graphically extrapolated. Cp (298.15 K, liq) = 237.57 J/mol*K, graphically extrapolated.; DH |
References
Go To: Top, Gas phase thermochemistry data, 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.
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]
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]
Notes
Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, References
- Symbols used in this document:
Cp,gas Constant pressure heat capacity of gas Cp,solid Constant pressure heat capacity of solid S°solid,1 bar Entropy of solid at standard conditions (1 bar) ΔcH°solid Enthalpy of combustion of solid at standard conditions ΔfH°gas Enthalpy of formation of gas at standard conditions ΔfH°solid Enthalpy of formation of solid at standard conditions - Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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