ChemSpider 2D Image | 3,5-Dinitrobenzyl methanesulfonate | C8H8N2O7S

3,5-Dinitrobenzyl methanesulfonate

  • Molecular FormulaC8H8N2O7S
  • Average mass276.223 Da
  • Monoisotopic mass276.005219 Da
  • ChemSpider ID24740381

More details:

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

3,5-Dinitrobenzyl methanesulfonate [ACD/IUPAC Name]
3,5-Dinitrobenzyl-methansulfonat [German] [ACD/IUPAC Name]
Benzenemethanol, 3,5-dinitro-, methanesulfonate (ester) [ACD/Index Name]
Méthanesulfonate de 3,5-dinitrobenzyle [French] [ACD/IUPAC Name]

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

Density: 1.6±0.1 g/cm3
Boiling Point: 520.4±40.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.3 mmHg at 25°C
Enthalpy of Vaporization: 76.3±3.0 kJ/mol
Flash Point: 268.5±27.3 °C
Index of Refraction: 1.592
Molar Refractivity: 58.6±0.4 cm3
#H bond acceptors: 9
#H bond donors: 0
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 0.61
ACD/LogD (pH 5.5): 1.16
ACD/BCF (pH 5.5): 4.47
ACD/KOC (pH 5.5): 101.69
ACD/LogD (pH 7.4): 1.16
ACD/BCF (pH 7.4): 4.47
ACD/KOC (pH 7.4): 101.69
Polar Surface Area: 143 Å2
Polarizability: 23.2±0.5 10-24cm3
Surface Tension: 68.0±3.0 dyne/cm
Molar Volume: 173.3±3.0 cm3

Click to predict properties on the Chemicalize site


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