ChemSpider 2D Image | 2-(~2~H_3_)Methyl(~2~H_6_)-2-propanyl acetate | C6H3D9O2

2-(2H3)Methyl(2H6)-2-propanyl acetate

  • Molecular FormulaC6H3D9O2
  • Average mass125.214 Da
  • Monoisotopic mass125.140221 Da
  • ChemSpider ID52563559

  • Non-standard isotope - Non-standard isotope

More details:

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

2-(2H3)Methyl(2H6)-2-propanyl acetate [ACD/IUPAC Name]
2-(2H3)Methyl(2H6)-2-propanyl-acetat [German] [ACD/IUPAC Name]
2-Propan-1,1,1,3,3,3-d6-ol, 2-(methyl-d3)-, acetate [ACD/Index Name]
2-Propan-1,1,1,3,3,3-d6-ol, 2-(methyl-d3)-, acetate
358731-03-0 [RN]
Acétate de 2-(2H3)méthyl(2H6)-2-propanyle [French] [ACD/IUPAC Name]
MFCD01861616
TERT-BUTYL-D9 ACETATE

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

Density: 0.9±0.1 g/cm3
Boiling Point: 98.0±8.0 °C at 760 mmHg
Vapour Pressure: 40.6±0.2 mmHg at 25°C
Enthalpy of Vaporization: 33.1±0.0 kJ/mol
Flash Point: 15.6±0.0 °C
Index of Refraction: 1.397
Molar Refractivity: 31.6±0.3 cm3
#H bond acceptors: 2
#H bond donors: 0
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 1.40
ACD/LogD (pH 5.5): 1.79
ACD/BCF (pH 5.5): 13.57
ACD/KOC (pH 5.5): 225.08
ACD/LogD (pH 7.4): 1.79
ACD/BCF (pH 7.4): 13.57
ACD/KOC (pH 7.4): 225.08
Polar Surface Area: 26 Å2
Polarizability: 12.5±0.5 10-24cm3
Surface Tension: 24.2±3.0 dyne/cm
Molar Volume: 131.1±3.0 cm3

Click to predict properties on the Chemicalize site


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