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

3-Phenylpropyl ({2-[4-(2-methyl-2-propanyl)phenoxy]ethyl}sulfinyl)acetate

  • Molecular FormulaC23H30O4S
  • Average mass402.547 Da
  • Monoisotopic mass402.186493 Da
  • ChemSpider ID59372445

More details:

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

({2-[4-(2-Méthyl-2-propanyl)phénoxy]éthyl}sulfinyl)acétate de 3-phénylpropyle [French] [ACD/IUPAC Name]
3-Phenylpropyl ({2-[4-(2-methyl-2-propanyl)phenoxy]ethyl}sulfinyl)acetate [ACD/IUPAC Name]
3-Phenylpropyl-({2-[4-(2-methyl-2-propanyl)phenoxy]ethyl}sulfinyl)acetat [German] [ACD/IUPAC Name]
Acetic acid, 2-[[2-[4-(1,1-dimethylethyl)phenoxy]ethyl]sulfinyl]-, 3-phenylpropyl ester [ACD/Index 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: 578.0±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.6 mmHg at 25°C
Enthalpy of Vaporization: 86.5±3.0 kJ/mol
Flash Point: 303.4±30.1 °C
Index of Refraction: 1.561
Molar Refractivity: 114.2±0.3 cm3
#H bond acceptors: 4
#H bond donors: 0
#Freely Rotating Bonds: 12
#Rule of 5 Violations: 1
ACD/LogP: 5.40
ACD/LogD (pH 5.5): 4.85
ACD/BCF (pH 5.5): 2845.05
ACD/KOC (pH 5.5): 10328.40
ACD/LogD (pH 7.4): 4.85
ACD/BCF (pH 7.4): 2845.05
ACD/KOC (pH 7.4): 10328.40
Polar Surface Area: 72 Å2
Polarizability: 45.3±0.5 10-24cm3
Surface Tension: 45.9±3.0 dyne/cm
Molar Volume: 352.9±3.0 cm3

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