ChemSpider 2D Image | 1,3-Bis[(~2~H_3_)methyl]benzene | C8H4D6

1,3-Bis[(2H3)methyl]benzene

  • Molecular FormulaC8H4D6
  • Average mass112.202 Da
  • Monoisotopic mass112.115913 Da
  • ChemSpider ID24533049
  • Non-standard isotope - Non-standard isotope


More details:






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

1,3-Bis[(2H3)methyl]benzene [ACD/IUPAC Name]
1,3-Bis[(2H3)méthyl]benzène [French] [ACD/IUPAC Name]
1,3-Bis[(2H3)methyl]benzol [German] [ACD/IUPAC Name]
Benzene, 1,3-di(methyl-d3)- [ACD/Index Name]
29636-65-5 [RN]
Benzene,1,3-di(methyl-d3)- (9CI)
dimethylbenzene-D6
m-Xylene-α,α,α,α',α',α'-d6

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

Density: 0.9±0.1 g/cm3
Boiling Point: 140.6±10.0 °C at 760 mmHg
Vapour Pressure: 7.6±0.1 mmHg at 25°C
Enthalpy of Vaporization: 35.7±0.0 kJ/mol
Flash Point: 25.0±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

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