ChemSpider 2D Image | Isobutyl 2-({2-[4-(2-methyl-2-propanyl)phenoxy]ethyl}sulfinyl)butanoate | C20H32O4S

Isobutyl 2-({2-[4-(2-methyl-2-propanyl)phenoxy]ethyl}sulfinyl)butanoate

  • Molecular FormulaC20H32O4S
  • Average mass368.531 Da
  • Monoisotopic mass368.202118 Da
  • ChemSpider ID59387740

More details:

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

2-({2-[4-(2-Méthyl-2-propanyl)phénoxy]éthyl}sulfinyl)butanoate d'isobutyle [French] [ACD/IUPAC Name]
Butanoic acid, 2-[[2-[4-(1,1-dimethylethyl)phenoxy]ethyl]sulfinyl]-, 2-methylpropyl ester [ACD/Index Name]
Isobutyl 2-({2-[4-(2-methyl-2-propanyl)phenoxy]ethyl}sulfinyl)butanoate [ACD/IUPAC Name]
Isobutyl-2-({2-[4-(2-methyl-2-propanyl)phenoxy]ethyl}sulfinyl)butanoat [German] [ACD/IUPAC Name]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.1±0.1 g/cm3
Boiling Point: 509.6±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.3 mmHg at 25°C
Enthalpy of Vaporization: 78.0±3.0 kJ/mol
Flash Point: 262.0±28.7 °C
Index of Refraction: 1.517
Molar Refractivity: 103.6±0.3 cm3
#H bond acceptors: 4
#H bond donors: 0
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 0
ACD/LogP: 5.00
ACD/LogD (pH 5.5): 4.63
ACD/BCF (pH 5.5): 1951.00
ACD/KOC (pH 5.5): 7884.31
ACD/LogD (pH 7.4): 4.63
ACD/BCF (pH 7.4): 1951.00
ACD/KOC (pH 7.4): 7884.31
Polar Surface Area: 72 Å2
Polarizability: 41.1±0.5 10-24cm3
Surface Tension: 39.9±3.0 dyne/cm
Molar Volume: 342.4±3.0 cm3

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