ChemSpider 2D Image | (2S)-2,3-Dihydroxypropyl (9E,12E)-9,12-octadecadienoate | C21H38O4

(2S)-2,3-Dihydroxypropyl (9E,12E)-9,12-octadecadienoate

  • Molecular FormulaC21H38O4
  • Average mass354.524 Da
  • Monoisotopic mass354.277008 Da
  • ChemSpider ID59699877

  • 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

(2S)-2,3-Dihydroxypropyl (9E,12E)-9,12-octadecadienoate [ACD/IUPAC Name]
(2S)-2,3-Dihydroxypropyl-(9E,12E)-9,12-octadecadienoat [German] [ACD/IUPAC Name]
(9E,12E)-9,12-Octadécadiénoate de (2S)-2,3-dihydroxypropyle [French] [ACD/IUPAC Name]
9,12-Octadecadienoic acid, (2S)-2,3-dihydroxypropyl ester, (9E,12E)- [ACD/Index Name]
(2S)-2,3-dihydroxypropyl octadeca-9,12-dienoate
MG(18:2(9Z,12Z)/0:0/0:0)

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

Density: 1.0±0.1 g/cm3
Boiling Point: 485.0±40.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.8 mmHg at 25°C
Enthalpy of Vaporization: 86.5±6.0 kJ/mol
Flash Point: 157.0±20.8 °C
Index of Refraction: 1.489
Molar Refractivity: 104.3±0.3 cm3
#H bond acceptors: 4
#H bond donors: 2
#Freely Rotating Bonds: 18
#Rule of 5 Violations: 1
ACD/LogP: 6.19
ACD/LogD (pH 5.5): 5.89
ACD/BCF (pH 5.5): 17609.25
ACD/KOC (pH 5.5): 38079.21
ACD/LogD (pH 7.4): 5.89
ACD/BCF (pH 7.4): 17609.23
ACD/KOC (pH 7.4): 38079.18
Polar Surface Area: 67 Å2
Polarizability: 41.3±0.5 10-24cm3
Surface Tension: 38.1±3.0 dyne/cm
Molar Volume: 361.3±3.0 cm3

Click to predict properties on the Chemicalize site


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