ChemSpider 2D Image | 3-{[4-(2-Methyl-2-propanyl)benzyl]sulfonyl}-1,2-propanediol | C14H22O4S

3-{[4-(2-Methyl-2-propanyl)benzyl]sulfonyl}-1,2-propanediol

  • Molecular FormulaC14H22O4S
  • Average mass286.387 Da
  • Monoisotopic mass286.123871 Da
  • ChemSpider ID65051019

More details:

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

1,2-Propanediol, 3-[[[4-(1,1-dimethylethyl)phenyl]methyl]sulfonyl]- [ACD/Index Name]
3-{[4-(2-Methyl-2-propanyl)benzyl]sulfonyl}-1,2-propandiol [German] [ACD/IUPAC Name]
3-{[4-(2-Methyl-2-propanyl)benzyl]sulfonyl}-1,2-propanediol [ACD/IUPAC Name]
3-{[4-(2-Méthyl-2-propanyl)benzyl]sulfonyl}-1,2-propanediol [French] [ACD/IUPAC 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: 521.1±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.4 mmHg at 25°C
Enthalpy of Vaporization: 83.6±3.0 kJ/mol
Flash Point: 268.9±30.1 °C
Index of Refraction: 1.548
Molar Refractivity: 75.7±0.4 cm3
#H bond acceptors: 4
#H bond donors: 2
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 1.64
ACD/LogD (pH 5.5): 1.46
ACD/BCF (pH 5.5): 7.57
ACD/KOC (pH 5.5): 148.28
ACD/LogD (pH 7.4): 1.46
ACD/BCF (pH 7.4): 7.57
ACD/KOC (pH 7.4): 148.28
Polar Surface Area: 83 Å2
Polarizability: 30.0±0.5 10-24cm3
Surface Tension: 47.4±3.0 dyne/cm
Molar Volume: 238.4±3.0 cm3

Click to predict properties on the Chemicalize site


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