ChemSpider 2D Image | 2-(~2~H_3_)Methyl(~2~H_6_)propan-2-ol | C4HD9O

2-(2H3)Methyl(2H6)propan-2-ol

  • Molecular FormulaC4HD9O
  • Average mass83.177 Da
  • Monoisotopic mass83.129654 Da
  • ChemSpider ID24532278
  • Non-standard isotope - Non-standard isotope


More details:






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

2-(2H3)Methyl(2H6)propan-2-ol
2-(2H3)Methyl-2-(2H6)propanol [ACD/IUPAC Name]
2-(2H3)Methyl-2-(2H6)propanol [German] [ACD/IUPAC Name]
2-(2H3)Méthyl-2-(2H6)propanol [French] [ACD/IUPAC Name]
2-Propan-1,1,1,3,3,3-d6-ol, 2-(methyl-d3)- [ACD/Index Name]
25725-11-5 [RN]
2-METHYL-2-PROPAN-D9-OL
tert-Butanol [Wiki]
tert-Butyl-d9 Alcohol

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

Density: 0.8±0.1 g/cm3
Boiling Point: 84.6±8.0 °C at 760 mmHg
Vapour Pressure: 46.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 37.9±6.0 kJ/mol
Flash Point: 11.7±0.0 °C
Index of Refraction: 1.395
Molar Refractivity: 22.1±0.3 cm3
#H bond acceptors: 1
#H bond donors: 1
#Freely Rotating Bonds: 0
#Rule of 5 Violations: 0
ACD/LogP: 0.51
ACD/LogD (pH 5.5): 0.72
ACD/BCF (pH 5.5): 2.09
ACD/KOC (pH 5.5): 58.95
ACD/LogD (pH 7.4): 0.72
ACD/BCF (pH 7.4): 2.09
ACD/KOC (pH 7.4): 58.95
Polar Surface Area: 20 Å2
Polarizability: 8.8±0.5 10-24cm3
Surface Tension: 23.6±3.0 dyne/cm
Molar Volume: 92.1±3.0 cm3

Click to predict properties on the Chemicalize site





Feedback Form