ChemSpider 2D Image | 2-Ethyltoluene-(dimethyl-d6) | C9H6D6

2-Ethyltoluene-(dimethyl-d6)

  • Molecular FormulaC9H6D6
  • Average mass126.229 Da
  • Monoisotopic mass126.131561 Da
  • ChemSpider ID58824592

  • Non-standard isotope - Non-standard isotope

More details:

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

1-[(2,2,2-2H3)Ethyl]-2-(2H3)methylbenzene [ACD/IUPAC Name]
1-[(2,2,2-2H3)Éthyl]-2-(2H3)méthylbenzène [French] [ACD/IUPAC Name]
1-[(2,2,2-2H3)Ethyl]-2-(2H3)methylbenzol [German] [ACD/IUPAC Name]
2-Ethyltoluene-(dimethyl-d6)
Benzene, 1-(ethyl-2,2,2-d3)-2-(methyl-d3)- [ACD/Index Name]

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

Density: 0.9±0.1 g/cm3
Boiling Point: 164.1±10.0 °C at 760 mmHg
Vapour Pressure: 2.6±0.1 mmHg at 25°C
Enthalpy of Vaporization: 38.4±0.8 kJ/mol
Flash Point: 39.4±0.0 °C
Index of Refraction: 1.498
Molar Refractivity: 40.6±0.3 cm3
#H bond acceptors: 0
#H bond donors: 0
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 0
ACD/LogP: 3.67
ACD/LogD (pH 5.5): 3.80
ACD/BCF (pH 5.5): 451.27
ACD/KOC (pH 5.5): 2764.72
ACD/LogD (pH 7.4): 3.80
ACD/BCF (pH 7.4): 451.27
ACD/KOC (pH 7.4): 2764.72
Polar Surface Area: 0 Å2
Polarizability: 16.1±0.5 10-24cm3
Surface Tension: 29.0±3.0 dyne/cm
Molar Volume: 138.5±3.0 cm3

Click to predict properties on the Chemicalize site


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