ChemSpider 2D Image | 4-[(3,5,5-Trimethylhexanoyl)oxy]benzenesulfonate | C15H21O5S

4-[(3,5,5-Trimethylhexanoyl)oxy]benzenesulfonate

  • Molecular FormulaC15H21O5S
  • Average mass313.390 Da
  • Monoisotopic mass313.111511 Da
  • ChemSpider ID95582375

  • Charge - Charge

More details:

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

4-[(3,5,5-Trimethylhexanoyl)oxy]benzenesulfonate [ACD/IUPAC Name]
4-[(3,5,5-Triméthylhexanoyl)oxy]benzènesulfonate [French] [ACD/IUPAC Name]
4-[(3,5,5-Trimethylhexanoyl)oxy]benzolsulfonat [German] [ACD/IUPAC Name]
Hexanoic acid, 3,5,5-trimethyl-, 4-sulfophenyl ester, ion(1-) [ACD/Index Name]

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

Density:
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction:
Molar Refractivity:
#H bond acceptors: 5
#H bond donors: 1
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 0
ACD/LogP: 3.58
ACD/LogD (pH 5.5): -0.54
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -0.54
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 92 Å2
Polarizability:
Surface Tension:
Molar Volume:

Click to predict properties on the Chemicalize site


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