ChemSpider 2D Image | Propyl 2-{[4-(2-methyl-2-propanyl)benzyl]sulfinyl}butanoate | C18H28O3S

Propyl 2-{[4-(2-methyl-2-propanyl)benzyl]sulfinyl}butanoate

  • Molecular FormulaC18H28O3S
  • Average mass324.478 Da
  • Monoisotopic mass324.175903 Da
  • ChemSpider ID60211021

More details:

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

2-{[4-(2-Méthyl-2-propanyl)benzyl]sulfinyl}butanoate de propyle [French] [ACD/IUPAC Name]
Butanoic acid, 2-[[[4-(1,1-dimethylethyl)phenyl]methyl]sulfinyl]-, propyl ester [ACD/Index Name]
Propyl 2-{[4-(2-methyl-2-propanyl)benzyl]sulfinyl}butanoate [ACD/IUPAC Name]
Propyl-2-{[4-(2-methyl-2-propanyl)benzyl]sulfinyl}butanoat [German] [ACD/IUPAC Name]

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

Density: 1.1±0.1 g/cm3
Boiling Point: 467.1±38.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.2 mmHg at 25°C
Enthalpy of Vaporization: 72.9±3.0 kJ/mol
Flash Point: 236.3±26.8 °C
Index of Refraction: 1.527
Molar Refractivity: 92.6±0.3 cm3
#H bond acceptors: 3
#H bond donors: 0
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 0
ACD/LogP: 4.32
ACD/LogD (pH 5.5): 4.36
ACD/BCF (pH 5.5): 1212.01
ACD/KOC (pH 5.5): 5607.54
ACD/LogD (pH 7.4): 4.36
ACD/BCF (pH 7.4): 1212.01
ACD/KOC (pH 7.4): 5607.54
Polar Surface Area: 63 Å2
Polarizability: 36.7±0.5 10-24cm3
Surface Tension: 41.2±3.0 dyne/cm
Molar Volume: 301.3±3.0 cm3

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