ChemSpider 2D Image | Ethyl (9Z,12S)-12-hydroxy-9-octadecenoate | C20H38O3

Ethyl (9Z,12S)-12-hydroxy-9-octadecenoate

  • Molecular FormulaC20H38O3
  • Average mass326.514 Da
  • Monoisotopic mass326.282104 Da
  • ChemSpider ID64872555

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 1 of 1 defined stereocentres

More details:

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

(9Z,12S)-12-Hydroxy-9-octadécénoate d'éthyle [French] [ACD/IUPAC Name]
9-Octadecenoic acid, 12-hydroxy-, ethyl ester, (9Z,12S)- [ACD/Index Name]
Ethyl (9Z,12S)-12-hydroxy-9-octadecenoate [ACD/IUPAC Name]
Ethyl-(9Z,12S)-12-hydroxy-9-octadecenoat [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: 425.9±28.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.3 mmHg at 25°C
Enthalpy of Vaporization: 78.6±6.0 kJ/mol
Flash Point: 159.1±16.8 °C
Index of Refraction: 1.466
Molar Refractivity: 98.0±0.3 cm3
#H bond acceptors: 3
#H bond donors: 1
#Freely Rotating Bonds: 17
#Rule of 5 Violations: 1
ACD/LogP: 6.70
ACD/LogD (pH 5.5): 6.51
ACD/BCF (pH 5.5): 52638.03
ACD/KOC (pH 5.5): 83385.05
ACD/LogD (pH 7.4): 6.51
ACD/BCF (pH 7.4): 52638.03
ACD/KOC (pH 7.4): 83385.05
Polar Surface Area: 47 Å2
Polarizability: 38.9±0.5 10-24cm3
Surface Tension: 34.0±3.0 dyne/cm
Molar Volume: 353.6±3.0 cm3

Click to predict properties on the Chemicalize site


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