ChemSpider 2D Image | 1-[(Difluoromethyl)sulfanyl]-4-(1,6-heptadiyn-1-yl)benzene | C14H12F2S

1-[(Difluoromethyl)sulfanyl]-4-(1,6-heptadiyn-1-yl)benzene

  • Molecular FormulaC14H12F2S
  • Average mass250.307 Da
  • Monoisotopic mass250.062775 Da
  • ChemSpider ID93728586

More details:

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

1-[(Difluormethyl)sulfanyl]-4-(1,6-heptadiin-1-yl)benzol [German] [ACD/IUPAC Name]
1-[(Difluoromethyl)sulfanyl]-4-(1,6-heptadiyn-1-yl)benzene [ACD/IUPAC Name]
1-[(Difluorométhyl)sulfanyl]-4-(1,6-heptadiyn-1-yl)benzène [French] [ACD/IUPAC Name]
Benzene, 1-[(difluoromethyl)thio]-4-(1,6-heptadiyn-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: 308.9±42.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 52.8±3.0 kJ/mol
Flash Point: 140.6±27.9 °C
Index of Refraction: 1.546
Molar Refractivity: 67.8±0.4 cm3
#H bond acceptors: 0
#H bond donors: 0
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 0
ACD/LogP: 4.74
ACD/LogD (pH 5.5): 4.42
ACD/BCF (pH 5.5): 1346.54
ACD/KOC (pH 5.5): 6046.36
ACD/LogD (pH 7.4): 4.42
ACD/BCF (pH 7.4): 1346.54
ACD/KOC (pH 7.4): 6046.36
Polar Surface Area: 25 Å2
Polarizability: 26.9±0.5 10-24cm3
Surface Tension: 42.8±5.0 dyne/cm
Molar Volume: 214.1±5.0 cm3

Click to predict properties on the Chemicalize site


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