ChemSpider 2D Image | Methyl 5-[(isopropylsulfonyl)methyl]-2-furoate | C10H14O5S

Methyl 5-[(isopropylsulfonyl)methyl]-2-furoate

  • Molecular FormulaC10H14O5S
  • Average mass246.280 Da
  • Monoisotopic mass246.056198 Da
  • ChemSpider ID114970085

More details:

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

2-Furancarboxylic acid, 5-[[(1-methylethyl)sulfonyl]methyl]-, methyl ester [ACD/Index Name]
5-[(Isopropylsulfonyl)méthyl]-2-furoate de méthyle [French] [ACD/IUPAC Name]
Methyl 5-[(isopropylsulfonyl)methyl]-2-furoate [ACD/IUPAC Name]
Methyl-5-[(isopropylsulfonyl)methyl]-2-furoat [German] [ACD/IUPAC 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: 426.1±40.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.0 mmHg at 25°C
Enthalpy of Vaporization: 68.1±3.0 kJ/mol
Flash Point: 211.5±27.3 °C
Index of Refraction: 1.496
Molar Refractivity: 57.7±0.4 cm3
#H bond acceptors: 5
#H bond donors: 0
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 0.34
ACD/LogD (pH 5.5): 0.65
ACD/BCF (pH 5.5): 1.83
ACD/KOC (pH 5.5): 53.68
ACD/LogD (pH 7.4): 0.65
ACD/BCF (pH 7.4): 1.83
ACD/KOC (pH 7.4): 53.68
Polar Surface Area: 82 Å2
Polarizability: 22.9±0.5 10-24cm3
Surface Tension: 42.1±3.0 dyne/cm
Molar Volume: 197.4±3.0 cm3

Click to predict properties on the Chemicalize site


Advertisement