ChemSpider 2D Image | (2S)-3-[(10-Methylhexadecyl)oxy]-1,2-propanediol | C20H42O3

(2S)-3-[(10-Methylhexadecyl)oxy]-1,2-propanediol

  • Molecular FormulaC20H42O3
  • Average mass330.546 Da
  • Monoisotopic mass330.313385 Da
  • ChemSpider ID29213334

  • defined stereocentres - 1 of 2 defined stereocentres

More details:

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

(2S)-3-[(10-Methylhexadecyl)oxy]-1,2-propandiol [German] [ACD/IUPAC Name]
(2S)-3-[(10-Methylhexadecyl)oxy]-1,2-propanediol [ACD/IUPAC Name]
(2S)-3-[(10-Méthylhexadécyl)oxy]-1,2-propanediol [French] [ACD/IUPAC Name]
1,2-Propanediol, 3-[(10-methylhexadecyl)oxy]-, (2S)- [ACD/Index Name]
256446-75-0 [RN]
(2S)-3-[(10-METHYLHEXADECYL)OXY]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: 454.0±25.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.5 mmHg at 25°C
Enthalpy of Vaporization: 82.3±6.0 kJ/mol
Flash Point: 228.4±23.2 °C
Index of Refraction: 1.463
Molar Refractivity: 99.4±0.3 cm3
#H bond acceptors: 3
#H bond donors: 2
#Freely Rotating Bonds: 18
#Rule of 5 Violations: 1
ACD/LogP: 7.02
ACD/LogD (pH 5.5): 6.32
ACD/BCF (pH 5.5): 37235.62
ACD/KOC (pH 5.5): 65084.21
ACD/LogD (pH 7.4): 6.32
ACD/BCF (pH 7.4): 37235.58
ACD/KOC (pH 7.4): 65084.13
Polar Surface Area: 50 Å2
Polarizability: 39.4±0.5 10-24cm3
Surface Tension: 34.7±3.0 dyne/cm
Molar Volume: 360.8±3.0 cm3

Click to predict properties on the Chemicalize site


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