ChemSpider 2D Image | (2S)-1,2-Propanediyl dihexadecanoate | C35H68O4

(2S)-1,2-Propanediyl dihexadecanoate

  • Molecular FormulaC35H68O4
  • Average mass552.912 Da
  • Monoisotopic mass552.511780 Da
  • ChemSpider ID25057874
  • defined stereocentres - 1 of 1 defined stereocentres


More details:






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

(2S)-1,2-Propandiyl-dihexadecanoat [German] [ACD/IUPAC Name]
(2S)-1,2-Propanediyl dihexadecanoate [ACD/IUPAC Name]
(2s)-Propane-1,2-Diyl Dihexadecanoate
Dihexadécanoate de (2S)-1,2-propanediyle [French] [ACD/IUPAC Name]
Hexadecanoic acid, (1S)-1-methyl-1,2-ethanediyl ester [ACD/Index Name]
251-581-4 [EINECS]
33587-20-1 [RN]
PROPYLENE GLYCOL DIPALMITATE
UNII-H9A347QU31

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

Density: 0.9±0.1 g/cm3
Boiling Point: 597.7±23.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.7 mmHg at 25°C
Enthalpy of Vaporization: 89.0±3.0 kJ/mol
Flash Point: 280.6±21.0 °C
Index of Refraction: 1.459
Molar Refractivity: 167.7±0.3 cm3
#H bond acceptors: 4
#H bond donors: 0
#Freely Rotating Bonds: 33
#Rule of 5 Violations: 2
ACD/LogP: 15.17
ACD/LogD (pH 5.5): 14.46
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 10000000.00
ACD/LogD (pH 7.4): 14.46
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 10000000.00
Polar Surface Area: 53 Å2
Polarizability: 66.5±0.5 10-24cm3
Surface Tension: 33.1±3.0 dyne/cm
Molar Volume: 613.6±3.0 cm3

Click to predict properties on the Chemicalize site






Advertisement