1,1'-Biphenyl, 2,2',3,3',4,4',5,5',6,6'-decafluoro-

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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-302.2 ± 1.4kcal/molCcbPrice and Sapiano, 1979Reanalyzed by Pedley, Naylor, et al., 1986, Original value = -301.9 ± 1.2 kcal/mol

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 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
Δcsolid-1052.6 ± 1.2kcal/molCcbPrice and Sapiano, 1979Reanalyzed by Pedley, Naylor, et al., 1986, Original value = -1036.49 kcal/mol; ALS
Quantity Value Units Method Reference Comment
solid,1 bar90.20cal/mol*KN/ASaito, Atake, et al., 1987DH
solid,1 bar90.970cal/mol*KN/APaukov and Rakhmenkulov, 1971DH

Constant pressure heat capacity of solid

Cp,solid (cal/mol*K) Temperature (K) Reference Comment
75.86298.15Saito, Atake, et al., 1987T = 3 to 300 K.; DH
77.29300.7Paukov and Rakhmenkulov, 1971T = 13 to 350 K. Complete article deposited at VINITI, No. 2536-71, 2 January 1971.; DH

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

Quantity Value Units Method Reference Comment
Tboil479.KN/APCR Inc., 1990BS
Tboil479.2KN/AWeast and Grasselli, 1989BS

Enthalpy of vaporization

ΔvapH (kcal/mol) Temperature (K) Method Reference Comment
11.9468.DSCBack, Grzyll, et al., 1996Based on data from 453. to 608. K.; AC

Enthalpy of sublimation

ΔsubH (kcal/mol) Temperature (K) Method Reference Comment
21.0310.AStephenson and Malanowski, 1987Based on data from 297. to 323. K.; AC
20.38 ± 0.56283.VRadchenko and Kitaigorodskii, 1974ALS

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
RDSH - Henry M. Rosenstock, Keith Draxl, Bruce W. Steiner, and John T. Herron
B - John E. Bartmess

Electron affinity determinations

EA (eV) Method Reference Comment
0.82 ± 0.11IMREDillow and Kebarle, 1989ΔGea(423 K) = -20.5±1.0 kcal/mol , assumed entropy = 3.5 eu; B

Ionization energy determinations

IE (eV) Method Reference Comment
9.40 ± 0.02PEMaier and Turner, 1972LLK
10.0 ± 0.1EICotter, Soc. 1965RDSH

Appearance energy determinations

Ion AE (eV) Other Products MethodReferenceComment
C11F7+17.2 ± 0.1?EICotter, Soc. 1965RDSH
C12F8+18.4 ± 0.3?EICotter, Soc. 1965RDSH
C12F9+16.7 ± 0.1FEICotter, Soc. 1965RDSH

IR Spectrum

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Data compiled by: Coblentz Society, Inc.

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


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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Mass 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-2810
NIST MS number 234317

All mass spectra in this site (plus many more) are available from the NIST/EPA/NIH Mass Spectral Library. Please see the following for information about the library and its accompanying search program.


UV/Visible spectrum

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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: Victor Talrose, Eugeny B. Stern, Antonina A. Goncharova, Natalia A. Messineva, Natalia V. Trusova, Margarita V. Efimkina

Spectrum

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UVVis spectrum
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Additional Data

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Source Yakobson, Shteingarts, et al., 1964
Owner INEP CP RAS, NIST OSRD
Collection (C) 2007 copyright by the U.S. Secretary of Commerce
on behalf of the United States of America. All rights reserved.
Origin INSTITUTE OF ENERGY PROBLEMS OF CHEMICAL PHYSICS, RAS
Source reference RAS UV No. 312
Instrument Spectrophotometer SF-16
Melting point 69.0-69.5

References

Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Phase change data, Gas phase ion energetics data, IR Spectrum, Mass spectrum (electron ionization), UV/Visible spectrum, Notes

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

Price and Sapiano, 1979
Price, S.J.W.; Sapiano, H.J., Determination of ΔHf298(C12F10,g) from studies of the combustion of decafluorobiphenyl in oxygen and calculation of D(C6F5-C6F5), Can. J. Chem., 1979, 57, 1468-1470. [all data]

Pedley, Naylor, et al., 1986
Pedley, J.B.; Naylor, R.D.; Kirby, S.P., Thermochemical Data of Organic Compounds, Chapman and Hall, New York, 1986, 1-792. [all data]

Saito, Atake, et al., 1987
Saito, K.; Atake, T.; Chihara, H., Perfluorobiphenyl and perchlorobiphenyl: heat capacities and intramolecular twisting vibrations, J. Chem. Thermodynam., 1987, 19, 9-18. [all data]

Paukov and Rakhmenkulov, 1971
Paukov, I.E.; Rakhmenkulov, F.S., Low-temperature heat capacity and standard thermodynamic functions of decafluorobiphenyl, Zhur. Fiz. Khim., 1971, 45, 1296-1297. [all data]

PCR Inc., 1990
PCR Inc., Research Chemicals Catalog 1990-1991, PCR Inc., Gainesville, FL, 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]

Back, Grzyll, et al., 1996
Back, Dwight D.; Grzyll, Lawrence R.; Corrigan, Mary, DSC enthalpy of vaporization measurements of high temperature two-phase working fluids, Thermochimica Acta, 1996, 272, 53-63, https://doi.org/10.1016/0040-6031(95)02615-0 . [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]

Radchenko and Kitaigorodskii, 1974
Radchenko, L.G.; Kitaigorodskii, A.I., The vapour pressures and heats of sublimation of naphthalene, biphenyl, octafluoronaphthalene, decafluorobiphenyl, acenaphthene and α-nitronaphthalene, Russ. J. Phys. Chem. (Engl. Transl.), 1974, 48, 1595. [all data]

Dillow and Kebarle, 1989
Dillow, G.W.; Kebarle, P., Substituent Effects on the Electron Affinities of Perfluorobenzenes C6F5X, J. Am. Chem. Soc., 1989, 111, 15, 5592, https://doi.org/10.1021/ja00197a014 . [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]

Cotter, Soc. 1965
Cotter, J.L., Electron impact studies of some aromatic fluorocarbons, J. Chem., Soc. 1965, 1520. [all data]

Yakobson, Shteingarts, et al., 1964
Yakobson, G.G.; Shteingarts, V./D.; Miroshnikov, A.I.; Vorozhtsov, N.N., Some reactions of dekafluorodiphenyl, Dokl. Akad. Nauk SSSR, 1964, 159, 5, 1109-1112. [all data]


Notes

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