ChemSpider 2D Image | Isopropyl 2-isopropoxy-5-(methylsulfonyl)benzoate | C14H20O5S

Isopropyl 2-isopropoxy-5-(methylsulfonyl)benzoate

  • Molecular FormulaC14H20O5S
  • Average mass300.371 Da
  • Monoisotopic mass300.103149 Da
  • ChemSpider ID65073417

More details:

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

2-Isopropoxy-5-(méthylsulfonyl)benzoate d'isopropyle [French] [ACD/IUPAC Name]
Benzoic acid, 2-(1-methylethoxy)-5-(methylsulfonyl)-, 1-methylethyl ester [ACD/Index Name]
Isopropyl 2-isopropoxy-5-(methylsulfonyl)benzoate [ACD/IUPAC Name]
Isopropyl-2-isopropoxy-5-(methylsulfonyl)benzoat [German] [ACD/IUPAC Name]
ISOPROPYL 2-ISOPROPOXY-5-METHANESULFONYLBENZOATE
PROPAN-2-YL 5-METHANESULFONYL-2-(PROPAN-2-YLOXY)BENZOATE

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

Density: 1.2±0.1 g/cm3
Boiling Point: 453.6±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.1 mmHg at 25°C
Enthalpy of Vaporization: 71.3±3.0 kJ/mol
Flash Point: 228.2±28.7 °C
Index of Refraction: 1.498
Molar Refractivity: 76.2±0.4 cm3
#H bond acceptors: 5
#H bond donors: 0
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 2.82
ACD/LogD (pH 5.5): 2.59
ACD/BCF (pH 5.5): 54.79
ACD/KOC (pH 5.5): 611.23
ACD/LogD (pH 7.4): 2.59
ACD/BCF (pH 7.4): 54.79
ACD/KOC (pH 7.4): 611.23
Polar Surface Area: 78 Å2
Polarizability: 30.2±0.5 10-24cm3
Surface Tension: 37.2±3.0 dyne/cm
Molar Volume: 259.9±3.0 cm3

Click to predict properties on the Chemicalize site


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