ChemSpider 2D Image | 2-{[4-Hydroxy-3,5-bis(2-methyl-2-propanyl)phenyl]sulfonyl}hexanoic acid | C20H32O5S

2-{[4-Hydroxy-3,5-bis(2-methyl-2-propanyl)phenyl]sulfonyl}hexanoic acid

  • Molecular FormulaC20H32O5S
  • Average mass384.530 Da
  • Monoisotopic mass384.197052 Da
  • ChemSpider ID15492670

More details:

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

2-{[4-Hydroxy-3,5-bis(2-methyl-2-propanyl)phenyl]sulfonyl}hexanoic acid [ACD/IUPAC Name]
2-{[4-Hydroxy-3,5-bis(2-methyl-2-propanyl)phenyl]sulfonyl}hexansäure [German] [ACD/IUPAC Name]
Acide 2-{[4-hydroxy-3,5-bis(2-méthyl-2-propanyl)phényl]sulfonyl}hexanoïque [French] [ACD/IUPAC Name]
Hexanoic acid, 2-[[3,5-bis(1,1-dimethylethyl)-4-hydroxyphenyl]sulfonyl]- [ACD/Index Name]

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

Density: 1.1±0.0 g/cm3
Boiling Point: 522.8±0.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.0 mmHg at 25°C
Enthalpy of Vaporization: 83.8±0.0 kJ/mol
Flash Point: 270.0±0.0 °C
Index of Refraction: 1.520
Molar Refractivity: 103.6±0.0 cm3
#H bond acceptors: 5
#H bond donors: 2
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 1
ACD/LogP: 5.52
ACD/LogD (pH 5.5): 2.58
ACD/BCF (pH 5.5): 10.60
ACD/KOC (pH 5.5): 27.56
ACD/LogD (pH 7.4): 1.73
ACD/BCF (pH 7.4): 1.50
ACD/KOC (pH 7.4): 3.89
Polar Surface Area: 100 Å2
Polarizability: 41.1±0.0 10-24cm3
Surface Tension: 42.3±0.0 dyne/cm
Molar Volume: 340.6±0.0 cm3

Click to predict properties on the Chemicalize site


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