ChemSpider 2D Image | 5-{[4-(2-Methyl-2-propanyl)benzyl]sulfonyl}-1-pentanol | C16H26O3S

5-{[4-(2-Methyl-2-propanyl)benzyl]sulfonyl}-1-pentanol

  • Molecular FormulaC16H26O3S
  • Average mass298.441 Da
  • Monoisotopic mass298.160278 Da
  • ChemSpider ID31781018

More details:

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

1-Pentanol, 5-[[[4-(1,1-dimethylethyl)phenyl]methyl]sulfonyl]- [ACD/Index Name]
5-{[4-(2-Methyl-2-propanyl)benzyl]sulfonyl}-1-pentanol [German] [ACD/IUPAC Name]
5-{[4-(2-Methyl-2-propanyl)benzyl]sulfonyl}-1-pentanol [ACD/IUPAC Name]
5-{[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: 478.1±38.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.3 mmHg at 25°C
Enthalpy of Vaporization: 78.2±3.0 kJ/mol
Flash Point: 243.0±26.8 °C
Index of Refraction: 1.522
Molar Refractivity: 83.4±0.4 cm3
#H bond acceptors: 3
#H bond donors: 1
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 0
ACD/LogP: 2.50
ACD/LogD (pH 5.5): 2.87
ACD/BCF (pH 5.5): 88.68
ACD/KOC (pH 5.5): 862.68
ACD/LogD (pH 7.4): 2.87
ACD/BCF (pH 7.4): 88.68
ACD/KOC (pH 7.4): 862.68
Polar Surface Area: 63 Å2
Polarizability: 33.1±0.5 10-24cm3
Surface Tension: 40.7±3.0 dyne/cm
Molar Volume: 273.5±3.0 cm3

Click to predict properties on the Chemicalize site


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