2,2'-Difluorobiphenyl

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Gas 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 by: Hussein Y. Afeefy, Joel F. Liebman, and Stephen E. Stein

Quantity Value Units Method Reference Comment
Δfgas-200.7 ± 4.7kJ/molCcrSmith, Gorin, et al., 1964Corrected for CODATA value of ΔfH

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 by: Hussein Y. Afeefy, Joel F. Liebman, and Stephen E. Stein

Quantity Value Units Method Reference Comment
Δfsolid-295.8 ± 2.1kJ/molCcrSmith, Gorin, et al., 1964Corrected for CODATA value of ΔfH
Quantity Value Units Method Reference Comment
Δcsolid-5927.85 ± 0.63kJ/molCcrSmith, Gorin, et al., 1964Corrected for CODATA value of ΔfH

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:
ALS - Hussein Y. Afeefy, Joel F. Liebman, and Stephen E. Stein
AC - William E. Acree, Jr., James S. Chickos

Quantity Value Units Method Reference Comment
Δsub95.0 ± 4.2kJ/molVSmith, Gorin, et al., 1964Corrected for CODATA value of ΔfH; ALS
Δsub95. ± 4.2kJ/molMESmith, Gorin, et al., 1964Based on data from 301. to 318. K. See also Cox and Pilcher, 1970.; AC

Enthalpy of sublimation

ΔsubH (kJ/mol) Temperature (K) Reference Comment
95.1310.Stephenson and Malanowski, 1987Based on data from 301. to 319. K. See also Smith, Gorin, et al., 1964.; AC

Gas phase ion energetics 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:
LLK - Sharon G. Lias, Rhoda D. Levin, and Sherif A. Kafafi

Ionization energy determinations

IE (eV) Method Reference Comment
8.35 ± 0.02PEMaier and Turner, 1972LLK

Mass spectrum (electron ionization)

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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 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 NIST Mass Spectrometry Data Center
NIST MS number 340692

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Gas Chromatography

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

Normal alkane RI, non-polar column, temperature ramp

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Column type Active phase I Reference Comment
CapillaryPB-11330.Andersson and Weis, 199450. m/0.32 mm/0.2 μm, H2, 80. C @ 2. min, 4. K/min, 270. C @ 5. min
CapillaryDB-51333.Andersson and Weis, 199430. m/0.32 mm/0.25 μm, H2, 80. C @ 2. min, 4. K/min, 270. C @ 5. min

Lee's RI, non-polar column, temperature ramp

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Column type Active phase I Reference Comment
CapillaryPB-1229.19Andersson and Weis, 199450. m/0.32 mm/0.2 μm, H2, 80. C @ 2. min, 4. K/min, 270. C @ 5. min
CapillaryDB-5229.47Andersson and Weis, 199430. m/0.32 mm/0.25 μm, H2, 80. C @ 2. min, 4. K/min, 270. C @ 5. min

Lee's RI, polar column, temperature ramp

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Column type Active phase I Reference Comment
CapillaryDB-Wax226.78Andersson and Weis, 199430. m/0.2 mm/0.15 μm, H2, 80. C @ 2. min, 4. K/min, 270. C @ 5. min

References

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Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.

Smith, Gorin, et al., 1964
Smith, N.K.; Gorin, G.; Good, W.D.; McCullough, J.P., The heats of combustion, sublimation, and formation of four dihalobiphenyls, J. Phys. Chem., 1964, 68, 940-946. [all data]

Cox and Pilcher, 1970
Cox, J.D.; Pilcher, G., Thermochemistry of Organic and Organometallic Compounds, Academic Press Inc., London, 1970, 643. [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]

Maier and Turner, 1972
Maier, J.P.; Turner, D.W., Steric inhibition of resonance studied by molecular photoelectron spectroscopy. Part I. Biphenyls, Faraday Discuss. Chem. Soc., 1972, 54, 149. [all data]

Andersson and Weis, 1994
Andersson, J.T.; Weis, U., Gas Chromatographic Determination of Polycyclic Aromatic Compounds with Fluorinated Analogues as Internal Standards, J. Chromatogr. A, 1994, 659, 1, 151-161, https://doi.org/10.1016/0021-9673(94)85017-8 . [all data]


Notes

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