ChemSpider 2D Image | Methyl (3S)-3-hydroxyheptadecanoate | C18H36O3

Methyl (3S)-3-hydroxyheptadecanoate

  • Molecular FormulaC18H36O3
  • Average mass300.477 Da
  • Monoisotopic mass300.266449 Da
  • ChemSpider ID114101211

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

(3S)-3-Hydroxyheptadécanoate de méthyle [French] [ACD/IUPAC Name]
Heptadecanoic acid, 3-hydroxy-, methyl ester, (3S)- [ACD/Index Name]
Methyl (3S)-3-hydroxyheptadecanoate [ACD/IUPAC Name]
Methyl-(3S)-3-hydroxyheptadecanoat [German] [ACD/IUPAC Name]

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

Density: 0.9±0.1 g/cm3
Boiling Point: 403.4±18.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.1 mmHg at 25°C
Enthalpy of Vaporization: 75.7±6.0 kJ/mol
Flash Point: 152.1±14.0 °C
Index of Refraction: 1.455
Molar Refractivity: 88.7±0.3 cm3
#H bond acceptors: 3
#H bond donors: 1
#Freely Rotating Bonds: 16
#Rule of 5 Violations: 1
ACD/LogP: 6.36
ACD/LogD (pH 5.5): 6.52
ACD/BCF (pH 5.5): 53118.40
ACD/KOC (pH 5.5): 83929.00
ACD/LogD (pH 7.4): 6.52
ACD/BCF (pH 7.4): 53118.40
ACD/KOC (pH 7.4): 83929.00
Polar Surface Area: 47 Å2
Polarizability: 35.2±0.5 10-24cm3
Surface Tension: 33.6±3.0 dyne/cm
Molar Volume: 327.0±3.0 cm3

Click to predict properties on the Chemicalize site


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