ChemSpider 2D Image | MFCD16294738 | C9H11D7N2O4

MFCD16294738

  • Molecular FormulaC9H11D7N2O4
  • Average mass225.293 Da
  • Monoisotopic mass225.170593 Da
  • ChemSpider ID49073318
  • Non-standard isotope - Non-standard isotope


More details:






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

1,3-Propane-1,1,3,3-d4-diol, 2-(methyl-d3)-2-propyl-, dicarbamate [ACD/Index Name]
2-[(Carbamoyloxy)(2H2)methyl]-2-(2H3)methyl(1,1-2H2)pentyl carbamate [ACD/IUPAC Name]
2-[(Carbamoyloxy)(2H2)methyl]-2-(2H3)methyl(1,1-2H2)pentylcarbamat [German] [ACD/IUPAC Name]
200-659-6 [EINECS]
Carbamate de 2-[(carbamoyloxy)(2H2)méthyl]-2-(2H3)méthyl(1,1-2H2)pentyle [French] [ACD/IUPAC Name]
MFCD16294738

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.1±0.1 g/cm3
Boiling Point: 434.2±28.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.0 mmHg at 25°C
Enthalpy of Vaporization: 69.0±3.0 kJ/mol
Flash Point: 229.7±20.3 °C
Index of Refraction: 1.479
Molar Refractivity: 54.3±0.3 cm3
#H bond acceptors: 6
#H bond donors: 4
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 0
ACD/LogP: 0.70
ACD/LogD (pH 5.5): 0.82
ACD/BCF (pH 5.5): 2.49
ACD/KOC (pH 5.5): 66.88
ACD/LogD (pH 7.4): 0.82
ACD/BCF (pH 7.4): 2.49
ACD/KOC (pH 7.4): 66.88
Polar Surface Area: 105 Å2
Polarizability: 21.5±0.5 10-24cm3
Surface Tension: 43.9±3.0 dyne/cm
Molar Volume: 191.5±3.0 cm3

Click to predict properties on the Chemicalize site






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