ChemSpider 2D Image | {2-[(4-Butylphenyl)sulfanyl]phenyl}acetonitrile | C18H19NS

{2-[(4-Butylphenyl)sulfanyl]phenyl}acetonitrile

  • Molecular FormulaC18H19NS
  • Average mass281.415 Da
  • Monoisotopic mass281.123810 Da
  • ChemSpider ID35768859

More details:

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

{2-[(4-Butylphenyl)sulfanyl]phenyl}acetonitril [German] [ACD/IUPAC Name]
{2-[(4-Butylphenyl)sulfanyl]phenyl}acetonitrile [ACD/IUPAC Name]
{2-[(4-Butylphényl)sulfanyl]phényl}acétonitrile [French] [ACD/IUPAC Name]
Benzeneacetonitrile, 2-[(4-butylphenyl)thio]- [ACD/Index Name]
2-(2-((4-Butylphenyl)thio)phenyl)acetonitrile
54997-30-7 [RN]

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

Density: 1.1±0.1 g/cm3
Boiling Point: 425.9±38.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.0 mmHg at 25°C
Enthalpy of Vaporization: 68.1±3.0 kJ/mol
Flash Point: 211.4±26.8 °C
Index of Refraction: 1.598
Molar Refractivity: 87.2±0.4 cm3
#H bond acceptors: 1
#H bond donors: 0
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 1
ACD/LogP: 5.74
ACD/LogD (pH 5.5): 5.30
ACD/BCF (pH 5.5): 6339.24
ACD/KOC (pH 5.5): 18326.93
ACD/LogD (pH 7.4): 5.30
ACD/BCF (pH 7.4): 6339.24
ACD/KOC (pH 7.4): 18326.93
Polar Surface Area: 49 Å2
Polarizability: 34.6±0.5 10-24cm3
Surface Tension: 49.1±5.0 dyne/cm
Molar Volume: 255.4±5.0 cm3

Click to predict properties on the Chemicalize site


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