ChemSpider 2D Image | 3-(Nonyloxy)-1,2-(~2~H_5_)propanediol | C12H21D5O3

3-(Nonyloxy)-1,2-(2H5)propanediol

  • Molecular FormulaC12H21D5O3
  • Average mass223.364 Da
  • Monoisotopic mass223.219574 Da
  • ChemSpider ID107433820

  • Non-standard isotope - Non-standard isotope

More details:

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

1,2-Propane-1,1,2,3,3-d5-diol, 3-(nonyloxy)- [ACD/Index Name]
3-(Nonyloxy)-1,2-(2H5)propandiol [German] [ACD/IUPAC Name]
3-(Nonyloxy)-1,2-(2H5)propanediol [ACD/IUPAC Name]
3-(Nonyloxy)-1,2-(2H5)propanediol [French] [ACD/IUPAC Name]

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

Density: 1.0±0.1 g/cm3
Boiling Point: 346.9±22.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.7 mmHg at 25°C
Enthalpy of Vaporization: 68.5±6.0 kJ/mol
Flash Point: 163.6±22.3 °C
Index of Refraction: 1.459
Molar Refractivity: 62.4±0.3 cm3
#H bond acceptors: 3
#H bond donors: 2
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 0
ACD/LogP: 2.95
ACD/LogD (pH 5.5): 3.45
ACD/BCF (pH 5.5): 248.05
ACD/KOC (pH 5.5): 1801.43
ACD/LogD (pH 7.4): 3.45
ACD/BCF (pH 7.4): 248.05
ACD/KOC (pH 7.4): 1801.43
Polar Surface Area: 50 Å2
Polarizability: 24.7±0.5 10-24cm3
Surface Tension: 36.2±3.0 dyne/cm
Molar Volume: 228.4±3.0 cm3

Click to predict properties on the Chemicalize site


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