2,2'-Difluorobiphenyl
- Formula: C12H8F2
- Molecular weight: 190.1887
- IUPAC Standard InChI: InChI=1S/C12H8F2/c13-11-7-3-1-5-9(11)10-6-2-4-8-12(10)14/h1-8H
- IUPAC Standard InChIKey: PXFIPIAXFGAEMJ-UHFFFAOYSA-N
- CAS Registry Number: 388-82-9
- 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'-difluoro-; 2,2'-Difluorodiphenyl; Biphenyl, 2,2'-difluoro; 2,2'-difluoro-1,1'-biphenyl
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Phase change data
Go To: Top, Gas phase ion energetics data, Gas Chromatography, 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
AC - William E. Acree, Jr., James S. Chickos
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| ΔsubH° | 95.0 ± 4.2 | kJ/mol | V | Smith, Gorin, et al., 1964 | Corrected for CODATA value of ΔfH; ALS |
| ΔsubH° | 95. ± 4.2 | kJ/mol | ME | Smith, Gorin, et al., 1964 | Based on data from 301. to 318. K. See also Cox and Pilcher, 1970.; AC |
Enthalpy of sublimation
| ΔsubH (kJ/mol) | Temperature (K) | Reference | Comment |
|---|---|---|---|
| 95.1 | 310. | Stephenson and Malanowski, 1987 | Based on data from 301. to 319. K. See also Smith, Gorin, et al., 1964.; AC |
Gas phase ion energetics data
Go To: Top, Phase change data, Gas Chromatography, 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 |
|---|---|---|---|
| 8.35 ± 0.02 | PE | Maier and Turner, 1972 | LLK |
Gas Chromatography
Go To: Top, Phase change data, 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 by: NIST Mass Spectrometry Data Center, William E. Wallace, director
Normal alkane RI, non-polar column, temperature ramp
| Column type | Active phase | I | Reference | Comment |
|---|---|---|---|---|
| Capillary | PB-1 | 1330. | Andersson and Weis, 1994 | 50. m/0.32 mm/0.2 μm, H2, 80. C @ 2. min, 4. K/min, 270. C @ 5. min |
| Capillary | DB-5 | 1333. | Andersson and Weis, 1994 | 30. 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
| Column type | Active phase | I | Reference | Comment |
|---|---|---|---|---|
| Capillary | PB-1 | 229.19 | Andersson and Weis, 1994 | 50. m/0.32 mm/0.2 μm, H2, 80. C @ 2. min, 4. K/min, 270. C @ 5. min |
| Capillary | DB-5 | 229.47 | Andersson and Weis, 1994 | 30. 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
| Column type | Active phase | I | Reference | Comment |
|---|---|---|---|---|
| Capillary | DB-Wax | 226.78 | Andersson and Weis, 1994 | 30. m/0.2 mm/0.15 μm, H2, 80. C @ 2. min, 4. K/min, 270. C @ 5. min |
References
Go To: Top, Phase change data, Gas phase ion energetics data, Gas Chromatography, Notes
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
Go To: Top, Phase change data, Gas phase ion energetics data, Gas Chromatography, References
- Symbols used in this document:
ΔsubH Enthalpy of sublimation ΔsubH° Enthalpy of sublimation at standard conditions - Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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