ChemSpider 2D Image | (~2~H_5_)-1,2,3-Propanetriyl tripentanoate | C18H27D5O6

(2H5)-1,2,3-Propanetriyl tripentanoate

  • Molecular FormulaC18H27D5O6
  • Average mass349.474 Da
  • Monoisotopic mass349.251282 Da
  • ChemSpider ID107433838
  • Non-standard isotope - Non-standard isotope


More details:






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

(2H5)-1,2,3-Propanetriyl tripentanoate [ACD/IUPAC Name]
(2H5)-1,2,3-Propantriyl-tripentanoat [German] [ACD/IUPAC Name]
Pentanoic acid, 1,2,3-propanetriyl-d5 ester [ACD/Index Name]
Tripentanoate de (2H5)-1,2,3-propanetriyle [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: 386.9±9.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.9 mmHg at 25°C
Enthalpy of Vaporization: 63.6±3.0 kJ/mol
Flash Point: 163.0±18.8 °C
Index of Refraction: 1.452
Molar Refractivity: 90.7±0.3 cm3
#H bond acceptors: 6
#H bond donors: 0
#Freely Rotating Bonds: 17
#Rule of 5 Violations: 0
ACD/LogP: 4.55
ACD/LogD (pH 5.5): 4.06
ACD/BCF (pH 5.5): 712.78
ACD/KOC (pH 5.5): 3834.82
ACD/LogD (pH 7.4): 4.06
ACD/BCF (pH 7.4): 712.78
ACD/KOC (pH 7.4): 3834.82
Polar Surface Area: 79 Å2
Polarizability: 36.0±0.5 10-24cm3
Surface Tension: 35.2±3.0 dyne/cm
Molar Volume: 336.5±3.0 cm3

Click to predict properties on the Chemicalize site






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