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Dibenzofuran

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Gas phase thermochemistry data

Go To: Top, Condensed phase thermochemistry data, Phase change data, IR Spectrum, Mass spectrum (electron ionization), 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
Deltafgas47.3 ± 4.8kJ/molCcbSabbah, 1991see 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
104.68200.Klots T.D., 1996GT
133.95250.
163.05298.15
164.21300.
193.48350.
220.83400.
245.61450.
267.81500.
287.52550.
305.14600.
329.34650.
334.74700.

Condensed phase thermochemistry data

Go To: Top, Gas phase thermochemistry data, Phase change data, IR Spectrum, Mass spectrum (electron ionization), 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
Deltafsolid-29.2 ± 4.8kJ/molCcbSabbah, 1991see Sabbah and Antipine, 1987 and Chirico, Gammon, et al., 1990; ALS
Quantity Value Units Method Reference Comment
Deltacsolid-5836.3 ± 4.7kJ/molCcbSabbah, 1991see Sabbah and Antipine, 1987 and Chirico, Gammon, et al., 1990; Corresponding «DELTA»fsolid = -29.1 kJ/mol (simple calculation by NIST; no Washburn corrections); ALS
Deltacsolid-5859.7 ± 4.2kJ/molCcbCass, Fletcher, et al., 1958Corresponding «DELTA»fsolid = -5.9 kJ/mol (simple calculation by NIST; no Washburn corrections); ALS
Quantity Value Units Method Reference Comment
solid,1 bar196.18J/mol*KN/AChirico, Gammon, et al., 1990crystaline, I phase; S (298.15 K, liq) = 244.97 J/mol*K.; DH

Constant pressure heat capacity of solid

Cp,solid (J/mol*K) Temperature (K) Reference Comment
199.01298.15Chirico, Gammon, et al., 1990crystaline, I phase; T = 5 to 720 K. Data graphically extrapolated. Cp (298.15 K, liq) = 237.57 J/mol*K, graphically extrapolated.; DH

Phase change data

Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, IR Spectrum, Mass spectrum (electron ionization), 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
TRC - Thermodynamics Research Center, NIST Boulder Laboratories, Kenneth Kroenlein director
DH - Eugene S. Domalski and Elizabeth D. Hearing
AC - William E. Acree, Jr., James S. Chickos
ALS - Hussein Y. Afeefy, Joel F. Liebman, and Stephen E. Stein
DRB - Donald R. Burgess, Jr.

Quantity Value Units Method Reference Comment
Tboil558.2KN/AAldrich Chemical Company Inc., 1990BS
Tboil560.2KN/AWeast and Grasselli, 1989BS
Tboil560.15KN/ACooper, Crowne, et al., 1967Uncertainty assigned by TRC = 0.6 K; TRC
Quantity Value Units Method Reference Comment
Tfus355. ± 3.KAVGN/AAverage of 6 values; Individual data points
Quantity Value Units Method Reference Comment
Ttriple355.31KN/AChirico, Gammon, et al., 1990, 2Crystal phase 1 phase; Uncertainty assigned by TRC = 0.02 K; TRC
Quantity Value Units Method Reference Comment
Tc824.KN/AChirico, Gammon, et al., 1990, 2Uncertainty assigned by TRC = 4. K; TRC
Quantity Value Units Method Reference Comment
Pc36.40barN/AChirico, Gammon, et al., 1990, 2Uncertainty assigned by TRC = 1.00 bar; TRC
Quantity Value Units Method Reference Comment
rhoc2.02mol/lN/AChirico, Gammon, et al., 1990, 2Uncertainty assigned by TRC = 0.03 mol/l; TRC
Quantity Value Units Method Reference Comment
Deltasub81. ± 9.kJ/molAVGN/AAverage of 6 values; Individual data points

Enthalpy of vaporization

DeltavapH (kJ/mol) Temperature (K) Method Reference Comment
66.2398.GCLei, Chankalal, et al., 2002Based on data from 323. - 473. K.; AC
55.1418.AStephenson and Malanowski, 1987Based on data from 403. - 559. K.; AC
66.2410.N/ACass, Fletcher, et al., 1958, 2Based on data from 403. - 418. K.; AC

Enthalpy of sublimation

DeltasubH (kJ/mol) Temperature (K) Method Reference Comment
82.1 ± 1.5307.MELi, Shibata, et al., 2004Based on data from 295. - 318. K.; AC
85.6324.TRordorf, 1989Based on data from 304. - 343. K. See also Rordorf, 1986.; AC
79.1323.N/AHansen and Eckert, 1986Based on data from 303. - 343. K.; AC
76.7323.GSSATO, INOMATA, et al., 1986Based on data from 299. - 346. K.; AC

Enthalpy of fusion

DeltafusH (kJ/mol) Temperature (K) Method Reference Comment
18.6354.7DSCKestens, Auclair, et al., 2010AC
19.41355.1N/AHafsaoui and Mahmoud, 2007AC
20.5355.8DSCLisicki and Jamróz, 2000AC
17.6355.2DSCMahmoud, Solimando, et al., 2000AC
18.6355.7N/AChirico, Gammon, et al., 1990AC

Enthalpy of phase transition

DeltaHtrs (kJ/mol) Temperature (K) Initial Phase Final Phase Reference Comment
0.00292.5crystaline, IIcrystaline, IChirico, Gammon, et al., 1990DH
19.29365355.31crystaline, IliquidChirico, Gammon, et al., 1990DH

Entropy of phase transition

DeltaStrs (J/mol*K) Temperature (K) Initial Phase Final Phase Reference Comment
54.30355.31crystaline, IliquidChirico, Gammon, et al., 1990DH

In addition to the Thermodynamics Research Center (TRC) data available from this site, much more physical and chemical property data is available from the following TRC products:


IR Spectrum

Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Phase change data, Mass spectrum (electron ionization), References, Notes

Data compiled by: Coblentz Society, Inc.

Data compiled by: NIST Mass Spectrometry Data Center, William E. Wallace, director


Mass spectrum (electron ionization)

Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Phase change 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 by: NIST Mass Spectrometry Data Center, William E. Wallace, director

Spectrum

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Additional Data

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Owner NIST Mass Spectrometry Data Center
Collection (C) 2014 copyright by the U.S. Secretary of Commerce
on behalf of the United States of America. All rights reserved.
Origin Japan AIST/NIMC Database- Spectrum MS-NW- 354
NIST MS number 228192

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References

Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Phase change data, IR Spectrum, Mass spectrum (electron ionization), 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]

Aldrich Chemical Company Inc., 1990
Aldrich Chemical Company Inc., Catalog Handbook of Fine Chemicals, Aldrich Chemical Company, Inc., Milwaukee WI, 1990, 1. [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]

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]

Chirico, Gammon, et al., 1990, 2
Chirico, R.D.; Gammon, B.E.; Kripmeyer, S.E.; Nguyen, A.; Strube, M.M.; Steele, W.V., The thermodynamic properties of dibenzofuran, J. Chem. Thermodyn., 1990, 22, 11, 1075, https://doi.org/10.1016/0021-9614(90)90157-L . [all data]

Lei, Chankalal, et al., 2002
Lei, Ying Duan; Chankalal, Raymond; Chan, Anita; Wania, Frank, Supercooled Liquid Vapor Pressures of the Polycyclic Aromatic Hydrocarbons, J. Chem. Eng. Data, 2002, 47, 4, 801-806, https://doi.org/10.1021/je0155148 . [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]

Cass, Fletcher, et al., 1958, 2
Cass, R.C.; Fletcher, S.E.; Mortimer, C.T.; Springall, H.D.; White, T.R., 281. 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, https://doi.org/10.1039/jr9580001406 . [all data]

Li, Shibata, et al., 2004
Li, Xian-Wei; Shibata, Etsuro; Kasai, Eiki; Nakamura, Takashi, VAPOR PRESSURES AND ENTHALPIES OF SUBLIMATION OF 17 POLYCHLORINATED DIBENZO-p-DIOXINS AND FIVE POLYCHLORINATED DIBENZOFURANS, Environ Toxicol Chem, 2004, 23, 2, 348-808, https://doi.org/10.1897/03-193 . [all data]

Rordorf, 1989
Rordorf, Berchtold F., Prediction of vapor pressures, boiling points and enthalpies of fusion for twenty-nine halogenated dibenzo-p-dioxins and fifty-five dibenzofurans by a vapor pressure correlation method, Chemosphere, 1989, 18, 1-6, 783-788, https://doi.org/10.1016/0045-6535(89)90196-3 . [all data]

Rordorf, 1986
Rordorf, Berchtold F., Thermal properties of dioxins, furans and related compounds, Chemosphere, 1986, 15, 9-12, 1325-1332, https://doi.org/10.1016/0045-6535(86)90407-8 . [all data]

Hansen and Eckert, 1986
Hansen, Philip C.; Eckert, Charles A., An improved transpiration method for the measurement of very low vapor pressures, J. Chem. Eng. Data, 1986, 31, 1, 1-3, https://doi.org/10.1021/je00043a001 . [all data]

SATO, INOMATA, et al., 1986
SATO, NOBUYUKI; INOMATA, HIROSHI; ARAI, KUNIO; SAITO, SHOZABURO, Measurement of vapor pressures for coal-related aromatic compounds by gas saturation method., J. Chem. Eng. Japan / JCEJ, 1986, 19, 2, 145-147, https://doi.org/10.1252/jcej.19.145 . [all data]

Kestens, Auclair, et al., 2010
Kestens, Vikram; Auclair, Guy; Drozdzewska, Katarzyna; Held, Andrea; Roebben, Gert; Linsinger, Thomas, Thermodynamic property values of selected polycyclic aromatic hydrocarbons measured by differential scanning calorimetry, J Therm Anal Calorim, 2010, 99, 1, 245-261, https://doi.org/10.1007/s10973-009-0440-6 . [all data]

Hafsaoui and Mahmoud, 2007
Hafsaoui, S.L.; Mahmoud, R., Solid-liquid equilibria of binary systems containing n-tetracosane with naphthalene or dibenzofuran, J Therm Anal Calorim, 2007, 88, 2, 565-570, https://doi.org/10.1007/s10973-006-8084-2 . [all data]

Lisicki and Jamróz, 2000
Lisicki, Zygmunt; Jamróz, Malgorzata E., (Solid + liquid) equilibria in (polynuclear aromatic+ tertiary amide) systems, The Journal of Chemical Thermodynamics, 2000, 32, 10, 1335-1353, https://doi.org/10.1006/jcht.2000.0685 . [all data]

Mahmoud, Solimando, et al., 2000
Mahmoud, R.; Solimando, R.; Bouroukba, M.; Rogalski, M., Solid-Liquid Equilibrium and Excess Enthalpy Measurements in Binary {Dibenzofuran or Xanthene + Normal Long-Chain Alkane} Systems, J. Chem. Eng. Data, 2000, 45, 3, 433-436, https://doi.org/10.1021/je9902084 . [all data]


Notes

Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Phase change data, IR Spectrum, Mass spectrum (electron ionization), References