ChemSpider 2D Image | Tetrahydro-2H-pyran-4-yl 5-chloro-3-(chlorosulfonyl)-2-methylbenzoate | C13H14Cl2O5S

Tetrahydro-2H-pyran-4-yl 5-chloro-3-(chlorosulfonyl)-2-methylbenzoate

  • Molecular FormulaC13H14Cl2O5S
  • Average mass353.218 Da
  • Monoisotopic mass351.993896 Da
  • ChemSpider ID40759578

More details:

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

5-Chloro-3-(chlorosulfonyl)-2-méthylbenzoate de tétrahydro-2H-pyran-4-yle [French] [ACD/IUPAC Name]
Benzoic acid, 5-chloro-3-(chlorosulfonyl)-2-methyl-, tetrahydro-2H-pyran-4-yl ester [ACD/Index Name]
Tetrahydro-2H-pyran-4-yl 5-chloro-3-(chlorosulfonyl)-2-methylbenzoate [ACD/IUPAC Name]
Tetrahydro-2H-pyran-4-yl-5-chlor-3-(chlorsulfonyl)-2-methylbenzoat [German] [ACD/IUPAC Name]

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

Density: 1.5±0.1 g/cm3
Boiling Point: 487.2±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.2 mmHg at 25°C
Enthalpy of Vaporization: 75.3±3.0 kJ/mol
Flash Point: 248.4±28.7 °C
Index of Refraction: 1.581
Molar Refractivity: 79.2±0.4 cm3
#H bond acceptors: 5
#H bond donors: 0
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 4.01
ACD/LogD (pH 5.5): 3.82
ACD/BCF (pH 5.5): 468.47
ACD/KOC (pH 5.5): 2839.75
ACD/LogD (pH 7.4): 3.82
ACD/BCF (pH 7.4): 468.47
ACD/KOC (pH 7.4): 2839.75
Polar Surface Area: 78 Å2
Polarizability: 31.4±0.5 10-24cm3
Surface Tension: 56.4±5.0 dyne/cm
Molar Volume: 237.4±5.0 cm3

Click to predict properties on the Chemicalize site


Advertisement