ChemSpider 2D Image | (2S)-3-[(1,2-~3~H_2_)Octadecyloxy]-1,2-propanediol | C21H42T2O3

(2S)-3-[(1,2-3H2)Octadecyloxy]-1,2-propanediol

  • Molecular FormulaC21H42T2O3
  • Average mass348.589 Da
  • Monoisotopic mass348.345490 Da
  • ChemSpider ID8911844

  • defined stereocentres - 1 of 1 defined stereocentres

    Non-standard isotope - Non-standard isotope

More details:

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

(2S)-3-[(1,2-3H2)Octadecyloxy]-1,2-propandiol [German] [ACD/IUPAC Name]
(2S)-3-[(1,2-3H2)Octadecyloxy]-1,2-propanediol [ACD/IUPAC Name]
(2S)-3-[(1,2-3H2)Octadécyloxy]-1,2-propanediol [French] [ACD/IUPAC Name]
1,2-Propanediol, 3-(octadecyl-1,2-t2-oxy)-, (2S)- [ACD/Index Name]

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

Density:
Boiling Point: 471.1±25.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.7 mmHg at 25°C
Enthalpy of Vaporization: 84.6±6.0 kJ/mol
Flash Point: 238.7±23.2 °C
Index of Refraction:
Molar Refractivity:
#H bond acceptors: 3
#H bond donors: 2
#Freely Rotating Bonds: 20
#Rule of 5 Violations: 1
ACD/LogP: 7.74
ACD/LogD (pH 5.5): 7.64
ACD/BCF (pH 5.5): 377667.69
ACD/KOC (pH 5.5): 341718.16
ACD/LogD (pH 7.4): 7.64
ACD/BCF (pH 7.4): 377667.25
ACD/KOC (pH 7.4): 341717.78
Polar Surface Area: 50 Å2
Polarizability:
Surface Tension:
Molar Volume:

Click to predict properties on the Chemicalize site


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