ChemSpider 2D Image | 2-Isopropyl-5-methylphenyl 3,4-dimethoxybenzenesulfonate | C18H22O5S

2-Isopropyl-5-methylphenyl 3,4-dimethoxybenzenesulfonate

  • Molecular FormulaC18H22O5S
  • Average mass350.429 Da
  • Monoisotopic mass350.118805 Da
  • ChemSpider ID31282103

More details:

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

2-Isopropyl-5-methylphenyl 3,4-dimethoxybenzenesulfonate [ACD/IUPAC Name]
2-Isopropyl-5-methylphenyl-3,4-dimethoxybenzolsulfonat [German] [ACD/IUPAC Name]
3,4-Diméthoxybenzènesulfonate de 2-isopropyl-5-méthylphényle [French] [ACD/IUPAC Name]
Benzenesulfonic acid, 3,4-dimethoxy-, 5-methyl-2-(1-methylethyl)phenyl ester [ACD/Index Name]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 480.3±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.2 mmHg at 25°C
Enthalpy of Vaporization: 71.6±3.0 kJ/mol
Flash Point: 244.3±28.7 °C
Index of Refraction: 1.539
Molar Refractivity: 93.2±0.4 cm3
#H bond acceptors: 5
#H bond donors: 0
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 1
ACD/LogP: 5.64
ACD/LogD (pH 5.5): 4.38
ACD/BCF (pH 5.5): 1247.15
ACD/KOC (pH 5.5): 5723.46
ACD/LogD (pH 7.4): 4.38
ACD/BCF (pH 7.4): 1247.15
ACD/KOC (pH 7.4): 5723.46
Polar Surface Area: 70 Å2
Polarizability: 37.0±0.5 10-24cm3
Surface Tension: 40.3±3.0 dyne/cm
Molar Volume: 297.5±3.0 cm3

Click to predict properties on the Chemicalize site


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