ChemSpider 2D Image | 2,3-Dihydroxy(~2~H_5_)propyl octanoate | C11H17D5O4

2,3-Dihydroxy(2H5)propyl octanoate

  • Molecular FormulaC11H17D5O4
  • Average mass223.321 Da
  • Monoisotopic mass223.183197 Da
  • ChemSpider ID48060616

  • Non-standard isotope - Non-standard isotope

More details:

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

2,3-Dihydroxy(2H5)propyl octanoate [ACD/IUPAC Name]
2,3-Dihydroxy(2H5)propyl-octanoat [German] [ACD/IUPAC Name]
Octanoate de 2,3-dihydroxy(2H5)propyle [French] [ACD/IUPAC Name]
Octanoic acid, 2,3-dihydroxypropyl-1,1,2,3,3-d5 ester [ACD/Index Name]
(1,1,2,3,3-pentadeuterio-2,3-dihydroxypropyl) octanoate
1794835-68-9 [RN]

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

Density: 1.0±0.1 g/cm3
Boiling Point: 340.0±22.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.7 mmHg at 25°C
Enthalpy of Vaporization: 67.6±6.0 kJ/mol
Flash Point: 123.4±15.8 °C
Index of Refraction: 1.465
Molar Refractivity: 57.8±0.3 cm3
#H bond acceptors: 4
#H bond donors: 2
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 0
ACD/LogP: 1.91
ACD/LogD (pH 5.5): 2.28
ACD/BCF (pH 5.5): 31.61
ACD/KOC (pH 5.5): 412.33
ACD/LogD (pH 7.4): 2.28
ACD/BCF (pH 7.4): 31.61
ACD/KOC (pH 7.4): 412.33
Polar Surface Area: 67 Å2
Polarizability: 22.9±0.5 10-24cm3
Surface Tension: 39.9±3.0 dyne/cm
Molar Volume: 209.0±3.0 cm3

Click to predict properties on the Chemicalize site


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