ChemSpider 2D Image | 2-Isopropyl-5-methylphenyl 2,3-dihydro-1,4-benzodioxine-6-sulfonate | C18H20O5S

2-Isopropyl-5-methylphenyl 2,3-dihydro-1,4-benzodioxine-6-sulfonate

  • Molecular FormulaC18H20O5S
  • Average mass348.413 Da
  • Monoisotopic mass348.103149 Da
  • ChemSpider ID22767001

More details:

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

1,4-Benzodioxin-6-sulfonic acid, 2,3-dihydro-, 5-methyl-2-(1-methylethyl)phenyl ester [ACD/Index Name]
2,3-Dihydro-1,4-benzodioxine-6-sulfonate de 2-isopropyl-5-méthylphényle [French] [ACD/IUPAC Name]
2-Isopropyl-5-methylphenyl 2,3-dihydro-1,4-benzodioxine-6-sulfonate [ACD/IUPAC Name]
2-Isopropyl-5-methylphenyl-2,3-dihydro-1,4-benzodioxin-6-sulfonat [German] [ACD/IUPAC 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: 490.7±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.2 mmHg at 25°C
Enthalpy of Vaporization: 72.8±3.0 kJ/mol
Flash Point: 250.6±28.7 °C
Index of Refraction: 1.569
Molar Refractivity: 91.2±0.4 cm3
#H bond acceptors: 5
#H bond donors: 0
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 1
ACD/LogP: 5.57
ACD/LogD (pH 5.5): 4.40
ACD/BCF (pH 5.5): 1306.87
ACD/KOC (pH 5.5): 5918.30
ACD/LogD (pH 7.4): 4.40
ACD/BCF (pH 7.4): 1306.87
ACD/KOC (pH 7.4): 5918.30
Polar Surface Area: 70 Å2
Polarizability: 36.2±0.5 10-24cm3
Surface Tension: 44.7±3.0 dyne/cm
Molar Volume: 278.4±3.0 cm3

Click to predict properties on the Chemicalize site


Advertisement