ChemSpider 2D Image | 2,5-Difluoro-4-(1,7-octadiyn-1-yl)benzenethiol | C14H12F2S

2,5-Difluoro-4-(1,7-octadiyn-1-yl)benzenethiol

  • Molecular FormulaC14H12F2S
  • Average mass250.307 Da
  • Monoisotopic mass250.062775 Da
  • ChemSpider ID96060236

More details:

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

2,5-Difluor-4-(1,7-octadiin-1-yl)benzolthiol [German] [ACD/IUPAC Name]
2,5-Difluoro-4-(1,7-octadiyn-1-yl)benzenethiol [ACD/IUPAC Name]
2,5-Difluoro-4-(1,7-octadiyn-1-yl)benzènethiol [French] [ACD/IUPAC Name]
Benzenethiol, 2,5-difluoro-4-(1,7-octadiyn-1-yl)- [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: 340.1±42.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.7 mmHg at 25°C
Enthalpy of Vaporization: 56.1±3.0 kJ/mol
Flash Point: 139.9±16.1 °C
Index of Refraction: 1.549
Molar Refractivity: 67.7±0.4 cm3
#H bond acceptors: 0
#H bond donors: 0
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 1
ACD/LogP: 5.21
ACD/LogD (pH 5.5): 3.98
ACD/BCF (pH 5.5): 463.38
ACD/KOC (pH 5.5): 1979.75
ACD/LogD (pH 7.4): 2.28
ACD/BCF (pH 7.4): 9.27
ACD/KOC (pH 7.4): 39.61
Polar Surface Area: 39 Å2
Polarizability: 26.8±0.5 10-24cm3
Surface Tension: 43.5±5.0 dyne/cm
Molar Volume: 212.9±5.0 cm3

Click to predict properties on the Chemicalize site


Advertisement