ChemSpider 2D Image | 5-(2-Methyl-2-propanyl)(2,2-~2~H_2_)-1,3-benzodioxole | C11H12D2O2

5-(2-Methyl-2-propanyl)(2,2-2H2)-1,3-benzodioxole

  • Molecular FormulaC11H12D2O2
  • Average mass180.240 Da
  • Monoisotopic mass180.111938 Da
  • ChemSpider ID65381786

  • Non-standard isotope - Non-standard isotope

More details:

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

1,3-Benzodioxole-2,2-d2, 5-(1,1-dimethylethyl)- [ACD/Index Name]
5-(2-Methyl-2-propanyl)(2,2-2H2)-1,3-benzodioxol [German] [ACD/IUPAC Name]
5-(2-Methyl-2-propanyl)(2,2-2H2)-1,3-benzodioxole [ACD/IUPAC Name]
5-(2-Méthyl-2-propanyl)(2,2-2H2)-1,3-benzodioxole [French] [ACD/IUPAC Name]
2138517-52-7 [RN]
5-tert-butyl(2,2-2H2)-1,3-dioxaindane
5-tert-butyl(2,2-2H2)-2H-1,3-benzodioxole

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

Density: 1.1±0.1 g/cm3
Boiling Point: 233.1±35.0 °C at 760 mmHg
Vapour Pressure: 0.1±0.4 mmHg at 25°C
Enthalpy of Vaporization: 45.1±3.0 kJ/mol
Flash Point: 97.2±0.0 °C
Index of Refraction: 1.519
Molar Refractivity: 50.8±0.3 cm3
#H bond acceptors: 2
#H bond donors: 0
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 0
ACD/LogP: 3.77
ACD/LogD (pH 5.5): 3.07
ACD/BCF (pH 5.5): 127.10
ACD/KOC (pH 5.5): 1116.26
ACD/LogD (pH 7.4): 3.07
ACD/BCF (pH 7.4): 127.10
ACD/KOC (pH 7.4): 1116.26
Polar Surface Area: 18 Å2
Polarizability: 20.1±0.5 10-24cm3
Surface Tension: 36.3±3.0 dyne/cm
Molar Volume: 167.3±3.0 cm3

Click to predict properties on the Chemicalize site


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