ChemSpider 2D Image | (2R)-2,3-Dihydroxypropyl 16-methylheptadecanoate | C21H42O4

(2R)-2,3-Dihydroxypropyl 16-methylheptadecanoate

  • Molecular FormulaC21H42O4
  • Average mass358.556 Da
  • Monoisotopic mass358.308319 Da
  • ChemSpider ID59674319

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

(2R)-2,3-Dihydroxypropyl 16-methylheptadecanoate [ACD/IUPAC Name]
(2R)-2,3-Dihydroxypropyl-16-methylheptadecanoat [German] [ACD/IUPAC Name]
16-Méthylheptadécanoate de (2R)-2,3-dihydroxypropyle [French] [ACD/IUPAC Name]
Heptadecanoic acid, 16-methyl-, (2R)-2,3-dihydroxypropyl ester [ACD/Index Name]
MG(i-18:0/0:0/0:0)

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: 1.0±0.1 g/cm3
Boiling Point: 472.8±25.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.7 mmHg at 25°C
Enthalpy of Vaporization: 84.8±6.0 kJ/mol
Flash Point: 150.1±16.7 °C
Index of Refraction: 1.468
Molar Refractivity: 104.1±0.3 cm3
#H bond acceptors: 4
#H bond donors: 2
#Freely Rotating Bonds: 19
#Rule of 5 Violations: 1
ACD/LogP: 7.04
ACD/LogD (pH 5.5): 6.16
ACD/BCF (pH 5.5): 28100.24
ACD/KOC (pH 5.5): 53207.36
ACD/LogD (pH 7.4): 6.16
ACD/BCF (pH 7.4): 28100.21
ACD/KOC (pH 7.4): 53207.30
Polar Surface Area: 67 Å2
Polarizability: 41.3±0.5 10-24cm3
Surface Tension: 36.5±3.0 dyne/cm
Molar Volume: 374.4±3.0 cm3

Click to predict properties on the Chemicalize site


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