1,1'-Biphenyl, 4,4'-difluoro-
- Formula: C12H8F2
- Molecular weight: 190.1887
- IUPAC Standard InChI: InChI=1S/C12H8F2/c13-11-5-1-9(2-6-11)10-3-7-12(14)8-4-10/h1-8H
- IUPAC Standard InChIKey: PZDAAZQDQJGXSW-UHFFFAOYSA-N
- CAS Registry Number: 398-23-2
- 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: 4,4'-Difluorobiphenyl; Biphenyl, 4,4'-difluoro-; 4,4'-Difluorodiphenyl
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Phase change data
Go To: Top, Gas phase ion energetics 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:
BS - Robert L. Brown and Stephen E. Stein
TRC - Thermodynamics Research Center, NIST Boulder Laboratories, Chris Muzny director
DH - Eugene S. Domalski and Elizabeth D. Hearing
ALS - Hussein Y. Afeefy, Joel F. Liebman, and Stephen E. Stein
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| Tboil | 527.7 | K | N/A | Weast and Grasselli, 1989 | BS |
| Quantity | Value | Units | Method | Reference | Comment |
| Tfus | 363.1 | K | N/A | Sangster and Irvine, 1956 | Uncertainty assigned by TRC = 2. K; TRC |
| Quantity | Value | Units | Method | Reference | Comment |
| ΔsubH° | 91.2 ± 4.2 | kJ/mol | V | Smith, Gorin, et al., 1964 | Corrected for CODATA value of ΔfH; ALS |
Enthalpy of vaporization
| ΔvapH (kJ/mol) | Temperature (K) | Reference | Comment |
|---|---|---|---|
| 91.200 | 298.15 | Saito, Atake, et al., 1986 | p = 0.5092 Pa, data from 64SMI/GOR.; DH |
Entropy of vaporization
| ΔvapS (J/mol*K) | Temperature (K) | Reference | Comment |
|---|---|---|---|
| 305. | 298.15 | Saito, Atake, et al., 1986 | p; DH |
Gas phase ion energetics data
Go To: Top, Phase change 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:
LLK - Sharon G. Lias, Rhoda D. Levin, and Sherif A. Kafafi
Ionization energy determinations
| IE (eV) | Method | Reference | Comment |
|---|---|---|---|
| 8.00 ± 0.02 | PE | Maier and Turner, 1972 | LLK |
References
Go To: Top, Phase change data, Gas phase ion energetics data, Notes
Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
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]
Sangster and Irvine, 1956
Sangster, R.C.; Irvine, J.W.,
Study of Organic Scintillators,
J. Chem. Phys., 1956, 24, 670. [all data]
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]
Saito, Atake, et al., 1986
Saito, K.; Atake, T.; Chihara, H.,
Thermodynamic studies of p-polyphenyls: heat capacity of 4,4'-difluorobiphenyl,
J. Chem. Thermodynam., 1986, 18, 407-414. [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]
Notes
Go To: Top, Phase change data, Gas phase ion energetics data, References
- Symbols used in this document:
Tboil Boiling point Tfus Fusion (melting) point ΔsubH° Enthalpy of sublimation at standard conditions ΔvapH Enthalpy of vaporization ΔvapS Entropy of vaporization - Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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