ChemSpider 2D Image | Propyl 3-[({2-[4-(2-methyl-2-propanyl)phenoxy]ethyl}sulfinyl)methyl]benzoate | C23H30O4S

Propyl 3-[({2-[4-(2-methyl-2-propanyl)phenoxy]ethyl}sulfinyl)methyl]benzoate

  • Molecular FormulaC23H30O4S
  • Average mass402.547 Da
  • Monoisotopic mass402.186493 Da
  • ChemSpider ID60161760

More details:

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

3-[({2-[4-(2-Méthyl-2-propanyl)phénoxy]éthyl}sulfinyl)méthyl]benzoate de propyle [French] [ACD/IUPAC Name]
Benzoic acid, 3-[[[2-[4-(1,1-dimethylethyl)phenoxy]ethyl]sulfinyl]methyl]-, propyl ester [ACD/Index Name]
Propyl 3-[({2-[4-(2-methyl-2-propanyl)phenoxy]ethyl}sulfinyl)methyl]benzoate [ACD/IUPAC Name]
Propyl-3-[({2-[4-(2-methyl-2-propanyl)phenoxy]ethyl}sulfinyl)methyl]benzoat [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: 579.9±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.6 mmHg at 25°C
Enthalpy of Vaporization: 86.8±3.0 kJ/mol
Flash Point: 304.5±30.1 °C
Index of Refraction: 1.563
Molar Refractivity: 115.0±0.3 cm3
#H bond acceptors: 4
#H bond donors: 0
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 1
ACD/LogP: 5.10
ACD/LogD (pH 5.5): 4.95
ACD/BCF (pH 5.5): 3379.79
ACD/KOC (pH 5.5): 11683.52
ACD/LogD (pH 7.4): 4.95
ACD/BCF (pH 7.4): 3379.79
ACD/KOC (pH 7.4): 11683.52
Polar Surface Area: 72 Å2
Polarizability: 45.6±0.5 10-24cm3
Surface Tension: 45.3±3.0 dyne/cm
Molar Volume: 354.2±3.0 cm3

Click to predict properties on the Chemicalize site


Advertisement