ChemSpider 2D Image | 4,4'-Difluorobiphenyl | C12H8F2

4,4'-Difluorobiphenyl

  • Molecular FormulaC12H8F2
  • Average mass190.189 Da
  • Monoisotopic mass190.059402 Da
  • ChemSpider ID21169511

More details:

Featured data source
The Merck Index Online

Validated by Experts, Validated by Users, Non-Validated, Removed by Users

1,1'-Biphenyl, 4,4'-difluoro- [ACD/Index Name]
206-910-6 [EINECS]
398-23-2 [RN]
4,4'-Difluorbiphenyl [German] [ACD/IUPAC Name]
4,4'-Difluorobiphenyl [ACD/IUPAC Name]
4,4'-Difluorobiphényle [French] [ACD/IUPAC Name]
4,4'-Difluorodiphenyl
"4,4`-DIFLUORO-1,1`-BIPHENYL"
"4,4`-DIFLUOROBIPHENYL"
[398-23-2] [RN]
More...

Validated by Experts, Validated by Users, Non-Validated, Removed by Users

MFCD00000349 [DBID]
O0694GMK81 [DBID]
AI3-19148 [DBID]
CCRIS 5836 [DBID]
D102407_ALDRICH [DBID]
NSC 4173 [DBID]
NSC4173 [DBID]
UNII:O0694GMK81 [DBID]
UNII-O0694GMK81 [DBID]
  • Experimental Physico-chemical Properties
  • Predicted Physico-chemical Properties
  • Miscellaneous
  • Gas Chromatography

    • Retention Index (Kovats):

      1317 (estimated with error: 34) NIST Spectra mainlib_233287, replib_107680, replib_133755

    • Retention Index (Lee):

      233.78 (Program type: Ramp; Column cl... (show more) ass: Standard non-polar; Column diameter: 0.32 mm; Column length: 50 m; Column type: Capillary; Heat rate: 4 K/min; Start T: 80 C; End T: 270 C; End time: 5 min; Start time: 2 min; CAS no: 398232; Active phase: PB-1; Carrier gas: H2; Phase thickness: 0.2 um; Data type: Lee RI; Authors: Andersson, J.T.; Weis, U., Gas Chromatographic Determination of Polycyclic Aromatic Compounds with Fluorinated Analogues as Internal Standards, J. Chromatogr. A, 659, 1994, 151-161.) NIST Spectra nist ri
      234.08 (Program type: Ramp; Column cl... (show more) ass: Semi-standard non-polar; Column diameter: 0.32 mm; Column length: 30 m; Column type: Capillary; Heat rate: 4 K/min; Start T: 80 C; End T: 270 C; End time: 5 min; Start time: 2 min; CAS no: 398232; Active phase: DB-5; Carrier gas: H2; Phase thickness: 0.25 um; Data type: Lee RI; Authors: Andersson, J.T.; Weis, U., Gas Chromatographic Determination of Polycyclic Aromatic Compounds with Fluorinated Analogues as Internal Standards, J. Chromatogr. A, 659, 1994, 151-161.) NIST Spectra nist ri
      233.87 (Program type: Ramp; Column cl... (show more) ass: Standard polar; Column diameter: 0.2 mm; Column length: 30 m; Column type: Capillary; Heat rate: 4 K/min; Start T: 80 C; End T: 270 C; End time: 5 min; Start time: 2 min; CAS no: 398232; Active phase: DB-Wax; Carrier gas: H2; Phase thickness: 0.15 um; Data type: Lee RI; Authors: Andersson, J.T.; Weis, U., Gas Chromatographic Determination of Polycyclic Aromatic Compounds with Fluorinated Analogues as Internal Standards, J. Chromatogr. A, 659, 1994, 151-161.) NIST Spectra nist ri

    • Retention Index (Normal Alkane):

      1356 (Program type: Ramp; Column cl... (show more) ass: Standard non-polar; Column diameter: 0.32 mm; Column length: 50 m; Column type: Capillary; Heat rate: 4 K/min; Start T: 80 C; End T: 270 C; End time: 5 min; Start time: 2 min; CAS no: 398232; Active phase: PB-1; Carrier gas: H2; Phase thickness: 0.2 um; Data type: Normal alkane RI; Authors: Andersson, J.T.; Weis, U., Gas Chromatographic Determination of Polycyclic Aromatic Compounds with Fluorinated Analogues as Internal Standards, J. Chromatogr. A, 659, 1994, 151-161.) NIST Spectra nist ri
      1360 (Program type: Ramp; Column cl... (show more) ass: Semi-standard non-polar; Column diameter: 0.32 mm; Column length: 30 m; Column type: Capillary; Heat rate: 4 K/min; Start T: 80 C; End T: 270 C; End time: 5 min; Start time: 2 min; CAS no: 398232; Active phase: DB-5; Carrier gas: H2; Phase thickness: 0.25 um; Data type: Normal alkane RI; Authors: Andersson, J.T.; Weis, U., Gas Chromatographic Determination of Polycyclic Aromatic Compounds with Fluorinated Analogues as Internal Standards, J. Chromatogr. A, 659, 1994, 151-161.) NIST Spectra nist ri

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.2±0.1 g/cm3
Boiling Point: 254.7±15.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.5 mmHg at 25°C
Enthalpy of Vaporization: 47.2±3.0 kJ/mol
Flash Point: 88.8±8.3 °C
Index of Refraction: 1.536
Molar Refractivity: 50.8±0.3 cm3
#H bond acceptors: 0
#H bond donors: 0
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 0
ACD/LogP: 3.84
ACD/LogD (pH 5.5): 3.92
ACD/BCF (pH 5.5): 562.95
ACD/KOC (pH 5.5): 3238.83
ACD/LogD (pH 7.4): 3.92
ACD/BCF (pH 7.4): 562.95
ACD/KOC (pH 7.4): 3238.83
Polar Surface Area: 0 Å2
Polarizability: 20.2±0.5 10-24cm3
Surface Tension: 34.3±3.0 dyne/cm
Molar Volume: 163.1±3.0 cm3

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