ChemSpider 2D Image | 1-(Benzylsulfanyl)-3-[4-(2-methyl-2-propanyl)phenoxy]-2-propanol | C20H26O2S

1-(Benzylsulfanyl)-3-[4-(2-methyl-2-propanyl)phenoxy]-2-propanol

  • Molecular FormulaC20H26O2S
  • Average mass330.484 Da
  • Monoisotopic mass330.165344 Da
  • ChemSpider ID22491735

More details:

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

1-(Benzylsulfanyl)-3-[4-(2-methyl-2-propanyl)phenoxy]-2-propanol [ACD/IUPAC Name]
1-(Benzylsulfanyl)-3-[4-(2-methyl-2-propanyl)phenoxy]-2-propanol [German] [ACD/IUPAC Name]
1-(Benzylsulfanyl)-3-[4-(2-méthyl-2-propanyl)phénoxy]-2-propanol [French] [ACD/IUPAC Name]
2-Propanol, 1-[4-(1,1-dimethylethyl)phenoxy]-3-[(phenylmethyl)thio]- [ACD/Index Name]
1-(benzylthio)-3-(4-tert-butylphenoxy)-2-propanol

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

Density: 1.1±0.1 g/cm3
Boiling Point: 487.1±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.3 mmHg at 25°C
Enthalpy of Vaporization: 79.3±3.0 kJ/mol
Flash Point: 248.4±28.7 °C
Index of Refraction: 1.570
Molar Refractivity: 99.2±0.3 cm3
#H bond acceptors: 2
#H bond donors: 1
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 1
ACD/LogP: 5.57
ACD/LogD (pH 5.5): 5.41
ACD/BCF (pH 5.5): 7637.82
ACD/KOC (pH 5.5): 20942.10
ACD/LogD (pH 7.4): 5.41
ACD/BCF (pH 7.4): 7637.81
ACD/KOC (pH 7.4): 20942.10
Polar Surface Area: 55 Å2
Polarizability: 39.3±0.5 10-24cm3
Surface Tension: 41.8±3.0 dyne/cm
Molar Volume: 302.2±3.0 cm3

Click to predict properties on the Chemicalize site


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