ChemSpider 2D Image | (2S)-2-(Dodecanoyloxy)-3-hydroxypropyl 22-methyltricosanoate | C39H76O5

(2S)-2-(Dodecanoyloxy)-3-hydroxypropyl 22-methyltricosanoate

  • Molecular FormulaC39H76O5
  • Average mass625.018 Da
  • Monoisotopic mass624.569275 Da
  • ChemSpider ID74858742

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

(2S)-2-(Dodecanoyloxy)-3-hydroxypropyl 22-methyltricosanoate [ACD/IUPAC Name]
(2S)-2-(Dodecanoyloxy)-3-hydroxypropyl-22-methyltricosanoat [German] [ACD/IUPAC Name]
22-Méthyltricosanoate de (2S)-2-(dodecanoyloxy)-3-hydroxypropyle [French] [ACD/IUPAC Name]
Tricosanoic acid, 22-methyl-, (2S)-3-hydroxy-2-[(1-oxododecyl)oxy]propyl ester [ACD/Index Name]
DG(i-24:0/12:0/0:0)

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

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

Density: 0.9±0.1 g/cm3
Boiling Point: 659.4±22.0 °C at 760 mmHg
Vapour Pressure: 0.0±4.5 mmHg at 25°C
Enthalpy of Vaporization: 111.1±6.0 kJ/mol
Flash Point: 180.7±15.8 °C
Index of Refraction: 1.466
Molar Refractivity: 187.7±0.3 cm3
#H bond acceptors: 5
#H bond donors: 1
#Freely Rotating Bonds: 37
#Rule of 5 Violations: 2
ACD/LogP: 16.28
ACD/LogD (pH 5.5): 14.13
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 10000000.00
ACD/LogD (pH 7.4): 14.13
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 10000000.00
Polar Surface Area: 73 Å2
Polarizability: 74.4±0.5 10-24cm3
Surface Tension: 34.7±3.0 dyne/cm
Molar Volume: 677.5±3.0 cm3

Click to predict properties on the Chemicalize site


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