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

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

  • Molecular FormulaC23H30O4S
  • Average mass402.547 Da
  • Monoisotopic mass402.186493 Da
  • ChemSpider ID60161451

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 d'isopropyle [French] [ACD/IUPAC Name]
Benzoic acid, 3-[[[2-[4-(1,1-dimethylethyl)phenoxy]ethyl]sulfinyl]methyl]-, 1-methylethyl ester [ACD/Index Name]
Isopropyl 3-[({2-[4-(2-methyl-2-propanyl)phenoxy]ethyl}sulfinyl)methyl]benzoate [ACD/IUPAC Name]
Isopropyl-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: 575.0±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.6 mmHg at 25°C
Enthalpy of Vaporization: 86.1±3.0 kJ/mol
Flash Point: 301.5±30.1 °C
Index of Refraction: 1.562
Molar Refractivity: 114.9±0.3 cm3
#H bond acceptors: 4
#H bond donors: 0
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 0
ACD/LogP: 4.92
ACD/LogD (pH 5.5): 4.82
ACD/BCF (pH 5.5): 2693.57
ACD/KOC (pH 5.5): 9931.72
ACD/LogD (pH 7.4): 4.82
ACD/BCF (pH 7.4): 2693.57
ACD/KOC (pH 7.4): 9931.72
Polar Surface Area: 72 Å2
Polarizability: 45.6±0.5 10-24cm3
Surface Tension: 44.6±3.0 dyne/cm
Molar Volume: 354.6±3.0 cm3

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