ChemSpider 2D Image | 3-{[4-(2-Methyl-2-propanyl)phenyl]sulfanyl}pentanenitrile | C15H21NS

3-{[4-(2-Methyl-2-propanyl)phenyl]sulfanyl}pentanenitrile

  • Molecular FormulaC15H21NS
  • Average mass247.399 Da
  • Monoisotopic mass247.139465 Da
  • ChemSpider ID34476999

More details:

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

3-{[4-(2-Methyl-2-propanyl)phenyl]sulfanyl}pentanenitrile [ACD/IUPAC Name]
3-{[4-(2-Méthyl-2-propanyl)phényl]sulfanyl}pentanenitrile [French] [ACD/IUPAC Name]
3-{[4-(2-Methyl-2-propanyl)phenyl]sulfanyl}pentannitril [German] [ACD/IUPAC Name]
Pentanenitrile, 3-[[4-(1,1-dimethylethyl)phenyl]thio]- [ACD/Index Name]
3-[(4-tert-butylphenyl)sulfanyl]pentanenitrile

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

Density: 1.0±0.1 g/cm3
Boiling Point: 369.8±35.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.8 mmHg at 25°C
Enthalpy of Vaporization: 61.7±3.0 kJ/mol
Flash Point: 177.5±25.9 °C
Index of Refraction: 1.533
Molar Refractivity: 76.4±0.4 cm3
#H bond acceptors: 1
#H bond donors: 0
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 4.61
ACD/LogD (pH 5.5): 4.77
ACD/BCF (pH 5.5): 2472.01
ACD/KOC (pH 5.5): 9339.89
ACD/LogD (pH 7.4): 4.77
ACD/BCF (pH 7.4): 2472.01
ACD/KOC (pH 7.4): 9339.89
Polar Surface Area: 49 Å2
Polarizability: 30.3±0.5 10-24cm3
Surface Tension: 39.8±5.0 dyne/cm
Molar Volume: 246.2±5.0 cm3

Click to predict properties on the Chemicalize site


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