ChemSpider 2D Image | 3-[(1S)-(1-~2~H_1_)Hexadecyloxy]-1,2-propanediol | C19H39DO3

3-[(1S)-(1-2H1)Hexadecyloxy]-1,2-propanediol

  • Molecular FormulaC19H39DO3
  • Average mass317.525 Da
  • Monoisotopic mass317.304016 Da
  • ChemSpider ID8814583

  • Non-standard isotope - Non-standard isotope

More details:

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

1,2-Propanediol, 3-[(1S)-hexadecyl-1-d-oxy]- [ACD/Index Name]
3-[(1S)-(1-2H1)Hexadecyloxy]-1,2-propandiol [German] [ACD/IUPAC Name]
3-[(1S)-(1-2H1)Hexadecyloxy]-1,2-propanediol [ACD/IUPAC Name]
3-[(1S)-(1-2H1)Hexadécyloxy]-1,2-propanediol [French] [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: 445.2±25.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.4 mmHg at 25°C
Enthalpy of Vaporization: 81.1±6.0 kJ/mol
Flash Point: 223.0±23.2 °C
Index of Refraction: 1.464
Molar Refractivity: 94.8±0.3 cm3
#H bond acceptors: 3
#H bond donors: 2
#Freely Rotating Bonds: 18
#Rule of 5 Violations: 1
ACD/LogP: 6.67
ACD/LogD (pH 5.5): 6.57
ACD/BCF (pH 5.5): 58379.92
ACD/KOC (pH 5.5): 89799.27
ACD/LogD (pH 7.4): 6.57
ACD/BCF (pH 7.4): 58379.86
ACD/KOC (pH 7.4): 89799.17
Polar Surface Area: 50 Å2
Polarizability: 37.6±0.5 10-24cm3
Surface Tension: 35.3±3.0 dyne/cm
Molar Volume: 343.9±3.0 cm3

Click to predict properties on the Chemicalize site


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