ChemSpider 2D Image | Cyclobutylmethyl 3-[(methylsulfonyl)methyl]-1-benzofuran-2-carboxylate | C16H18O5S

Cyclobutylmethyl 3-[(methylsulfonyl)methyl]-1-benzofuran-2-carboxylate

  • Molecular FormulaC16H18O5S
  • Average mass322.376 Da
  • Monoisotopic mass322.087494 Da
  • ChemSpider ID30457224

More details:

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

2-Benzofurancarboxylic acid, 3-[(methylsulfonyl)methyl]-, cyclobutylmethyl ester [ACD/Index Name]
3-[(Méthylsulfonyl)méthyl]-1-benzofurane-2-carboxylate de cyclobutylméthyle [French] [ACD/IUPAC Name]
Cyclobutylmethyl 3-[(methylsulfonyl)methyl]-1-benzofuran-2-carboxylate [ACD/IUPAC Name]
Cyclobutylmethyl-3-[(methylsulfonyl)methyl]-1-benzofuran-2-carboxylat [German] [ACD/IUPAC Name]
CYCLOBUTYLMETHYL 3-(METHANESULFONYLMETHYL)-1-BENZOFURAN-2-CARBOXYLATE

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

Density: 1.3±0.1 g/cm3
Boiling Point: 540.2±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.4 mmHg at 25°C
Enthalpy of Vaporization: 81.8±3.0 kJ/mol
Flash Point: 280.5±28.7 °C
Index of Refraction: 1.588
Molar Refractivity: 82.4±0.4 cm3
#H bond acceptors: 5
#H bond donors: 0
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 2.46
ACD/LogD (pH 5.5): 2.62
ACD/BCF (pH 5.5): 57.35
ACD/KOC (pH 5.5): 631.46
ACD/LogD (pH 7.4): 2.62
ACD/BCF (pH 7.4): 57.35
ACD/KOC (pH 7.4): 631.46
Polar Surface Area: 82 Å2
Polarizability: 32.7±0.5 10-24cm3
Surface Tension: 53.3±3.0 dyne/cm
Molar Volume: 245.1±3.0 cm3

Click to predict properties on the Chemicalize site


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