ChemSpider 2D Image | {[(4,4-Difluoro-1-cyclohexen-1-yl)ethynyl]sulfanyl}benzene | C14H12F2S

{[(4,4-Difluoro-1-cyclohexen-1-yl)ethynyl]sulfanyl}benzene

  • Molecular FormulaC14H12F2S
  • Average mass250.307 Da
  • Monoisotopic mass250.062775 Da
  • ChemSpider ID89694803

More details:

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

{[(4,4-Difluor-1-cyclohexen-1-yl)ethinyl]sulfanyl}benzol [German] [ACD/IUPAC Name]
{[(4,4-Difluoro-1-cyclohexen-1-yl)ethynyl]sulfanyl}benzene [ACD/IUPAC Name]
{[(4,4-Difluoro-1-cyclohexén-1-yl)éthynyl]sulfanyl}benzène [French] [ACD/IUPAC Name]
Benzene, [[2-(4,4-difluoro-1-cyclohexen-1-yl)ethynyl]thio]- [ACD/Index Name]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 341.2±52.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.7 mmHg at 25°C
Enthalpy of Vaporization: 56.2±3.0 kJ/mol
Flash Point: 160.2±30.7 °C
Index of Refraction: 1.579
Molar Refractivity: 67.7±0.4 cm3
#H bond acceptors: 0
#H bond donors: 0
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 1
ACD/LogP: 5.72
ACD/LogD (pH 5.5): 4.63
ACD/BCF (pH 5.5): 1938.76
ACD/KOC (pH 5.5): 7848.86
ACD/LogD (pH 7.4): 4.63
ACD/BCF (pH 7.4): 1938.76
ACD/KOC (pH 7.4): 7848.86
Polar Surface Area: 25 Å2
Polarizability: 26.8±0.5 10-24cm3
Surface Tension: 43.2±5.0 dyne/cm
Molar Volume: 203.9±5.0 cm3

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