ChemSpider 2D Image | Methyl(3,5-~2~H_2_)benzene | C7H6D2

Methyl(3,5-2H2)benzene

  • Molecular FormulaC7H6D2
  • Average mass94.151 Da
  • Monoisotopic mass94.075157 Da
  • ChemSpider ID24532106
  • Non-standard isotope - Non-standard isotope


More details:






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

Benzene-1,3-d2, 5-methyl- [ACD/Index Name]
Methyl(3,5-2H2)benzene [ACD/IUPAC Name]
Méthyl(3,5-2H2)benzène [French] [ACD/IUPAC Name]
Methyl(3,5-2H2)benzol [German] [ACD/IUPAC Name]
16954-38-4 [RN]
Toluene-3,5-d2

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

Density: 0.9±0.1 g/cm3
Boiling Point: 110.6±3.0 °C at 760 mmHg
Vapour Pressure: 27.7±0.1 mmHg at 25°C
Enthalpy of Vaporization: 33.5±0.8 kJ/mol
Flash Point: 4.4±0.0 °C
Index of Refraction: 1.500
Molar Refractivity: 31.1±0.3 cm3
#H bond acceptors: 0
#H bond donors: 0
#Freely Rotating Bonds: 0
#Rule of 5 Violations: 0
ACD/LogP: 2.68
ACD/LogD (pH 5.5): 2.61
ACD/BCF (pH 5.5): 56.48
ACD/KOC (pH 5.5): 624.65
ACD/LogD (pH 7.4): 2.61
ACD/BCF (pH 7.4): 56.48
ACD/KOC (pH 7.4): 624.65
Polar Surface Area: 0 Å2
Polarizability: 12.3±0.5 10-24cm3
Surface Tension: 28.8±3.0 dyne/cm
Molar Volume: 105.7±3.0 cm3

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