ChemSpider 2D Image | 3-Acetylphenyl 3,3-dimethyl-1-butanesulfonate | C14H20O4S

3-Acetylphenyl 3,3-dimethyl-1-butanesulfonate

  • Molecular FormulaC14H20O4S
  • Average mass284.371 Da
  • Monoisotopic mass284.108215 Da
  • ChemSpider ID30278605

More details:

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

1-Butanesulfonic acid, 3,3-dimethyl-, 3-acetylphenyl ester [ACD/Index Name]
3,3-Diméthyl-1-butanesulfonate de 3-acétylphényle [French] [ACD/IUPAC Name]
3-Acetylphenyl 3,3-dimethyl-1-butanesulfonate [ACD/IUPAC Name]
3-Acetylphenyl-3,3-dimethyl-1-butansulfonat [German] [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: 417.4±37.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.0 mmHg at 25°C
Enthalpy of Vaporization: 67.1±3.0 kJ/mol
Flash Point: 206.3±26.5 °C
Index of Refraction: 1.511
Molar Refractivity: 74.5±0.4 cm3
#H bond acceptors: 4
#H bond donors: 0
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 3.24
ACD/LogD (pH 5.5): 2.86
ACD/BCF (pH 5.5): 88.15
ACD/KOC (pH 5.5): 859.03
ACD/LogD (pH 7.4): 2.86
ACD/BCF (pH 7.4): 88.15
ACD/KOC (pH 7.4): 859.03
Polar Surface Area: 69 Å2
Polarizability: 29.5±0.5 10-24cm3
Surface Tension: 40.3±3.0 dyne/cm
Molar Volume: 248.6±3.0 cm3

Click to predict properties on the Chemicalize site


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