ChemSpider 2D Image | Methyl (12Z)-9,10,11-trihydroxy-12-octadecenoate | C19H36O5

Methyl (12Z)-9,10,11-trihydroxy-12-octadecenoate

  • Molecular FormulaC19H36O5
  • Average mass344.486 Da
  • Monoisotopic mass344.256287 Da
  • ChemSpider ID114935592

  • Double-bond stereo - Double-bond stereo

More details:

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

(12Z)-9,10,11-Trihydroxy-12-octadécénoate de méthyle [French] [ACD/IUPAC Name]
12-Octadecenoic acid, 9,10,11-trihydroxy-, methyl ester, (12Z)- [ACD/Index Name]
Methyl (12Z)-9,10,11-trihydroxy-12-octadecenoate [ACD/IUPAC Name]
Methyl-(12Z)-9,10,11-trihydroxy-12-octadecenoat [German] [ACD/IUPAC Name]
Compound NP-024577
methyl (Z)-9,10,11-trihydroxyoctadec-12-enoate

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

Density: 1.0±0.1 g/cm3
Boiling Point: 487.0±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.8 mmHg at 25°C
Enthalpy of Vaporization: 86.7±6.0 kJ/mol
Flash Point: 161.6±22.2 °C
Index of Refraction: 1.491
Molar Refractivity: 96.4±0.3 cm3
#H bond acceptors: 5
#H bond donors: 3
#Freely Rotating Bonds: 16
#Rule of 5 Violations: 0
ACD/LogP: 3.77
ACD/LogD (pH 5.5): 3.37
ACD/BCF (pH 5.5): 214.82
ACD/KOC (pH 5.5): 1625.19
ACD/LogD (pH 7.4): 3.37
ACD/BCF (pH 7.4): 214.82
ACD/KOC (pH 7.4): 1625.19
Polar Surface Area: 87 Å2
Polarizability: 38.2±0.5 10-24cm3
Surface Tension: 41.0±3.0 dyne/cm
Molar Volume: 332.9±3.0 cm3

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