ChemSpider 2D Image | 1,4-dideuterio-2-methyl-5-(trideuteriomethyl)benzene | C8H5D5

1,4-dideuterio-2-methyl-5-(trideuteriomethyl)benzene

  • Molecular FormulaC8H5D5
  • Average mass111.196 Da
  • Monoisotopic mass111.109634 Da
  • ChemSpider ID8187439
  • Non-standard isotope - Non-standard isotope


More details:






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

1-Méthyl-4-(2H3)méthyl(2,5-2H2)benzène [French] [ACD/IUPAC Name]
1-Methyl-4-(2H3)methyl(2,5-2H2)benzol [German] [ACD/IUPAC Name]

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

Density: 0.9±0.1 g/cm3
Boiling Point: 139.6±10.0 °C at 760 mmHg
Vapour Pressure: 7.9±0.1 mmHg at 25°C
Enthalpy of Vaporization: 35.7±0.0 kJ/mol
Flash Point: 27.2±0.0 °C
Index of Refraction: 1.500
Molar Refractivity: 35.9±0.3 cm3
#H bond acceptors: 0
#H bond donors: 0
#Freely Rotating Bonds: 0
#Rule of 5 Violations: 0
ACD/LogP: 3.14
ACD/LogD (pH 5.5): 3.25
ACD/BCF (pH 5.5): 173.90
ACD/KOC (pH 5.5): 1397.04
ACD/LogD (pH 7.4): 3.25
ACD/BCF (pH 7.4): 173.90
ACD/KOC (pH 7.4): 1397.04
Polar Surface Area: 0 Å2
Polarizability: 14.2±0.5 10-24cm3
Surface Tension: 28.8±3.0 dyne/cm
Molar Volume: 122.0±3.0 cm3

Click to predict properties on the Chemicalize site





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