ChemSpider 2D Image | (2S)-3-[(9E)-9-Octadecen-1-yloxy]-1,2-propanediol | C21H42O3

(2S)-3-[(9E)-9-Octadecen-1-yloxy]-1,2-propanediol

  • Molecular FormulaC21H42O3
  • Average mass342.556 Da
  • Monoisotopic mass342.313385 Da
  • ChemSpider ID57452122

  • 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)-3-[(9E)-9-Octadecen-1-yloxy]-1,2-propandiol [German] [ACD/IUPAC Name]
(2S)-3-[(9E)-9-Octadecen-1-yloxy]-1,2-propanediol [ACD/IUPAC Name]
(2S)-3-[(9E)-9-Octadécén-1-yloxy]-1,2-propanediol [French] [ACD/IUPAC Name]
1,2-Propanediol, 3-[(9E)-9-octadecen-1-yloxy]-, (2S)- [ACD/Index Name]
(2S)-3-(OCTADEC-9-EN-1-YLOXY)PROPANE-1,2-DIOL

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

Density: 0.9±0.1 g/cm3
Boiling Point: 470.6±35.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.6 mmHg at 25°C
Enthalpy of Vaporization: 84.5±6.0 kJ/mol
Flash Point: 238.4±25.9 °C
Index of Refraction: 1.474
Molar Refractivity: 104.2±0.3 cm3
#H bond acceptors: 3
#H bond donors: 2
#Freely Rotating Bonds: 19
#Rule of 5 Violations: 1
ACD/LogP: 7.22
ACD/LogD (pH 5.5): 6.98
ACD/BCF (pH 5.5): 118817.55
ACD/KOC (pH 5.5): 149340.52
ACD/LogD (pH 7.4): 6.98
ACD/BCF (pH 7.4): 118817.42
ACD/KOC (pH 7.4): 149340.36
Polar Surface Area: 50 Å2
Polarizability: 41.3±0.5 10-24cm3
Surface Tension: 35.6±3.0 dyne/cm
Molar Volume: 370.5±3.0 cm3

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