ChemSpider 2D Image | 1-[2-(Phenylsulfanyl)phenyl]-1-pentanol | C17H20OS

1-[2-(Phenylsulfanyl)phenyl]-1-pentanol

  • Molecular FormulaC17H20OS
  • Average mass272.405 Da
  • Monoisotopic mass272.123474 Da
  • ChemSpider ID21447271

More details:

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

1-[2-(Phenylsulfanyl)phenyl]-1-pentanol [ACD/IUPAC Name]
1-[2-(Phenylsulfanyl)phenyl]-1-pentanol [German] [ACD/IUPAC Name]
1-[2-(Phénylsulfanyl)phényl]-1-pentanol [French] [ACD/IUPAC Name]
Benzenemethanol, α-butyl-2-(phenylthio)- [ACD/Index Name]
UPENNABS017
WSK_002

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

Density: 1.1±0.1 g/cm3
Boiling Point: 391.8±25.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.9 mmHg at 25°C
Enthalpy of Vaporization: 67.7±3.0 kJ/mol
Flash Point: 190.4±21.9 °C
Index of Refraction: 1.606
Molar Refractivity: 84.1±0.4 cm3
#H bond acceptors: 1
#H bond donors: 1
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 1
ACD/LogP: 5.21
ACD/LogD (pH 5.5): 4.57
ACD/BCF (pH 5.5): 1751.90
ACD/KOC (pH 5.5): 7299.65
ACD/LogD (pH 7.4): 4.57
ACD/BCF (pH 7.4): 1751.90
ACD/KOC (pH 7.4): 7299.65
Polar Surface Area: 46 Å2
Polarizability: 33.4±0.5 10-24cm3
Surface Tension: 48.4±5.0 dyne/cm
Molar Volume: 243.9±5.0 cm3

Click to predict properties on the Chemicalize site


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