ChemSpider 2D Image | 5-{[2,6-Dimethyl-4-(2-methyl-2-propanyl)benzyl]sulfonyl}-1-pentanol | C18H30O3S

5-{[2,6-Dimethyl-4-(2-methyl-2-propanyl)benzyl]sulfonyl}-1-pentanol

  • Molecular FormulaC18H30O3S
  • Average mass326.494 Da
  • Monoisotopic mass326.191559 Da
  • ChemSpider ID31781016

More details:

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

1-Pentanol, 5-[[[4-(1,1-dimethylethyl)-2,6-dimethylphenyl]methyl]sulfonyl]- [ACD/Index Name]
5-{[2,6-Dimethyl-4-(2-methyl-2-propanyl)benzyl]sulfonyl}-1-pentanol [German] [ACD/IUPAC Name]
5-{[2,6-Dimethyl-4-(2-methyl-2-propanyl)benzyl]sulfonyl}-1-pentanol [ACD/IUPAC Name]
5-{[2,6-Diméthyl-4-(2-méthyl-2-propanyl)benzyl]sulfonyl}-1-pentanol [French] [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: 497.2±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.3 mmHg at 25°C
Enthalpy of Vaporization: 80.6±3.0 kJ/mol
Flash Point: 254.5±28.7 °C
Index of Refraction: 1.517
Molar Refractivity: 92.7±0.4 cm3
#H bond acceptors: 3
#H bond donors: 1
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 0
ACD/LogP: 3.42
ACD/LogD (pH 5.5): 3.89
ACD/BCF (pH 5.5): 533.30
ACD/KOC (pH 5.5): 3115.79
ACD/LogD (pH 7.4): 3.89
ACD/BCF (pH 7.4): 533.30
ACD/KOC (pH 7.4): 3115.79
Polar Surface Area: 63 Å2
Polarizability: 36.7±0.5 10-24cm3
Surface Tension: 39.3±3.0 dyne/cm
Molar Volume: 306.1±3.0 cm3

Click to predict properties on the Chemicalize site


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