ChemSpider 2D Image | 3-[(1,1-~2~H_2_)Ethyl]-3-(2,2,4,4-~2~H_4_)pentanol | C7H10D6O

3-[(1,1-2H2)Ethyl]-3-(2,2,4,4-2H4)pentanol

  • Molecular FormulaC7H10D6O
  • Average mass122.238 Da
  • Monoisotopic mass122.157776 Da
  • ChemSpider ID107439811

  • Non-standard isotope - Non-standard isotope

More details:

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

3-[(1,1-2H2)Ethyl]-3-(2,2,4,4-2H4)pentanol [German] [ACD/IUPAC Name]
3-[(1,1-2H2)Ethyl]-3-(2,2,4,4-2H4)pentanol [ACD/IUPAC Name]
3-[(1,1-2H2)Éthyl]-3-(2,2,4,4-2H4)pentanol [French] [ACD/IUPAC Name]
3-Pentan-2,2,4,4-d4-ol, 3-(ethyl-1,1-d2)- [ACD/Index Name]

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

Density: 0.8±0.1 g/cm3
Boiling Point: 146.6±8.0 °C at 760 mmHg
Vapour Pressure: 1.8±0.6 mmHg at 25°C
Enthalpy of Vaporization: 44.7±6.0 kJ/mol
Flash Point: 40.0±0.0 °C
Index of Refraction: 1.422
Molar Refractivity: 36.0±0.3 cm3
#H bond acceptors: 1
#H bond donors: 1
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 2.10
ACD/LogD (pH 5.5): 1.91
ACD/BCF (pH 5.5): 16.67
ACD/KOC (pH 5.5): 260.79
ACD/LogD (pH 7.4): 1.91
ACD/BCF (pH 7.4): 16.67
ACD/KOC (pH 7.4): 260.79
Polar Surface Area: 20 Å2
Polarizability: 14.3±0.5 10-24cm3
Surface Tension: 26.9±3.0 dyne/cm
Molar Volume: 141.6±3.0 cm3

Click to predict properties on the Chemicalize site


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