ChemSpider 2D Image | 4-Methoxyphenyl 2,4,5-trimethylbenzenesulfonate | C16H18O4S

4-Methoxyphenyl 2,4,5-trimethylbenzenesulfonate

  • Molecular FormulaC16H18O4S
  • Average mass306.377 Da
  • Monoisotopic mass306.092590 Da
  • ChemSpider ID77501572

More details:

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

2,4,5-Triméthylbenzènesulfonate de 4-méthoxyphényle [French] [ACD/IUPAC Name]
4-Methoxyphenyl 2,4,5-trimethylbenzenesulfonate [ACD/IUPAC Name]
4-Methoxyphenyl-2,4,5-trimethylbenzolsulfonat [German] [ACD/IUPAC Name]
Benzenesulfonic acid, 2,4,5-trimethyl-, 4-methoxyphenyl ester [ACD/Index Name]
2380194-33-0 [RN]
4-methoxyphenyl 2,4,5-trimethylbenzene-1-sulfonate

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

Density: 1.2±0.1 g/cm3
Boiling Point: 461.1±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.1 mmHg at 25°C
Enthalpy of Vaporization: 69.4±3.0 kJ/mol
Flash Point: 232.7±28.7 °C
Index of Refraction: 1.556
Molar Refractivity: 82.3±0.4 cm3
#H bond acceptors: 4
#H bond donors: 0
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 4.44
ACD/LogD (pH 5.5): 4.01
ACD/BCF (pH 5.5): 654.87
ACD/KOC (pH 5.5): 3609.16
ACD/LogD (pH 7.4): 4.01
ACD/BCF (pH 7.4): 654.87
ACD/KOC (pH 7.4): 3609.16
Polar Surface Area: 61 Å2
Polarizability: 32.6±0.5 10-24cm3
Surface Tension: 41.8±3.0 dyne/cm
Molar Volume: 255.9±3.0 cm3

Click to predict properties on the Chemicalize site


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