ChemSpider 2D Image | 4-(4-Methylphenyl)-2-({2-[4-(2-methyl-2-propanyl)phenoxy]ethyl}sulfinyl)butanoic acid | C23H30O4S

4-(4-Methylphenyl)-2-({2-[4-(2-methyl-2-propanyl)phenoxy]ethyl}sulfinyl)butanoic acid

  • Molecular FormulaC23H30O4S
  • Average mass402.547 Da
  • Monoisotopic mass402.186493 Da
  • ChemSpider ID59387785

More details:

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

4-(4-Methylphenyl)-2-({2-[4-(2-methyl-2-propanyl)phenoxy]ethyl}sulfinyl)butanoic acid [ACD/IUPAC Name]
4-(4-Methylphenyl)-2-({2-[4-(2-methyl-2-propanyl)phenoxy]ethyl}sulfinyl)butansäure [German] [ACD/IUPAC Name]
Acide 4-(4-méthylphényl)-2-({2-[4-(2-méthyl-2-propanyl)phénoxy]éthyl}sulfinyl)butanoïque [French] [ACD/IUPAC Name]
Benzenebutanoic acid, α-[[2-[4-(1,1-dimethylethyl)phenoxy]ethyl]sulfinyl]-4-methyl- [ACD/Index Name]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 609.6±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.8 mmHg at 25°C
Enthalpy of Vaporization: 95.2±3.0 kJ/mol
Flash Point: 322.5±31.5 °C
Index of Refraction: 1.578
Molar Refractivity: 114.2±0.3 cm3
#H bond acceptors: 4
#H bond donors: 1
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 1
ACD/LogP: 5.83
ACD/LogD (pH 5.5): 2.15
ACD/BCF (pH 5.5): 6.18
ACD/KOC (pH 5.5): 24.16
ACD/LogD (pH 7.4): 1.02
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.81
Polar Surface Area: 83 Å2
Polarizability: 45.3±0.5 10-24cm3
Surface Tension: 49.1±3.0 dyne/cm
Molar Volume: 344.1±3.0 cm3

Click to predict properties on the Chemicalize site


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