ChemSpider 2D Image | 2-Hydroxy-4-methoxy-2-methyl-6-(methylsulfonyl)hexanoic acid | C9H18O6S

2-Hydroxy-4-methoxy-2-methyl-6-(methylsulfonyl)hexanoic acid

  • Molecular FormulaC9H18O6S
  • Average mass254.301 Da
  • Monoisotopic mass254.082413 Da
  • ChemSpider ID98101394

More details:

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

2-Hydroxy-4-methoxy-2-methyl-6-(methylsulfonyl)hexanoic acid [ACD/IUPAC Name]
2-Hydroxy-4-methoxy-2-methyl-6-(methylsulfonyl)hexansäure [German] [ACD/IUPAC Name]
Acide 2-hydroxy-4-méthoxy-2-méthyl-6-(méthylsulfonyl)hexanoïque [French] [ACD/IUPAC Name]
Hexanoic acid, 2-hydroxy-4-methoxy-2-methyl-6-(methylsulfonyl)- [ACD/Index Name]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 524.5±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.1 mmHg at 25°C
Enthalpy of Vaporization: 91.9±6.0 kJ/mol
Flash Point: 271.0±30.1 °C
Index of Refraction: 1.495
Molar Refractivity: 57.4±0.4 cm3
#H bond acceptors: 6
#H bond donors: 2
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 0
ACD/LogP: -0.92
ACD/LogD (pH 5.5): -2.91
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -4.21
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 109 Å2
Polarizability: 22.8±0.5 10-24cm3
Surface Tension: 50.0±3.0 dyne/cm
Molar Volume: 197.0±3.0 cm3

Click to predict properties on the Chemicalize site


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