ChemSpider 2D Image | (~2~H_3_)Methyl benzenesulfonate | C7H5D3O3S

(2H3)Methyl benzenesulfonate

  • Molecular FormulaC7H5D3O3S
  • Average mass175.220 Da
  • Monoisotopic mass175.038239 Da
  • ChemSpider ID62947431

  • Non-standard isotope - Non-standard isotope

More details:

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

(2H3)Methyl benzenesulfonate [ACD/IUPAC Name]
(2H3)Methyl-benzolsulfonat [German] [ACD/IUPAC Name]
Benzènesulfonate de (2H3)méthyle [French] [ACD/IUPAC Name]
Methan-d3-ol, benzenesulfonate [ACD/Index Name]
120651-50-5 [RN]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 269.1±9.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.5 mmHg at 25°C
Enthalpy of Vaporization: 48.7±3.0 kJ/mol
Flash Point: 116.6±18.7 °C
Index of Refraction: 1.522
Molar Refractivity: 41.9±0.4 cm3
#H bond acceptors: 3
#H bond donors: 0
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 0.84
ACD/LogD (pH 5.5): 1.51
ACD/BCF (pH 5.5): 8.24
ACD/KOC (pH 5.5): 157.56
ACD/LogD (pH 7.4): 1.51
ACD/BCF (pH 7.4): 8.24
ACD/KOC (pH 7.4): 157.56
Polar Surface Area: 52 Å2
Polarizability: 16.6±0.5 10-24cm3
Surface Tension: 38.9±3.0 dyne/cm
Molar Volume: 137.6±3.0 cm3

Click to predict properties on the Chemicalize site


Advertisement