ChemSpider 2D Image | 3-[(13-Methyltetradecanoyl)oxy]-1,2-propanediyl dihenicosanoate | C60H116O6

3-[(13-Methyltetradecanoyl)oxy]-1,2-propanediyl dihenicosanoate

  • Molecular FormulaC60H116O6
  • Average mass933.559 Da
  • Monoisotopic mass932.877197 Da
  • ChemSpider ID59666475

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

3-[(13-Methyltetradecanoyl)oxy]-1,2-propandiyl-dihenicosanoat [German] [ACD/IUPAC Name]
3-[(13-Methyltetradecanoyl)oxy]-1,2-propanediyl dihenicosanoate [ACD/IUPAC Name]
Dihénicosanoate de 3-[(13-méthyltetradecanoyl)oxy]-1,2-propanediyle [French] [ACD/IUPAC Name]
Heneicosanoic acid, 1-[[(13-methyl-1-oxotetradecyl)oxy]methyl]-1,2-ethanediyl ester [ACD/Index Name]
(2S)-1-(henicosanoyloxy)-3-[(13-methyltetradecanoyl)oxy]propan-2-yl henicosanoate
TG(21:0/21:0/i-15:0)

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

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

Density: 0.9±0.1 g/cm3
Boiling Point: 836.4±32.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.1 mmHg at 25°C
Enthalpy of Vaporization: 121.5±3.0 kJ/mol
Flash Point: 304.6±25.2 °C
Index of Refraction: 1.466
Molar Refractivity: 285.3±0.3 cm3
#H bond acceptors: 6
#H bond donors: 0
#Freely Rotating Bonds: 58
#Rule of 5 Violations: 2
ACD/LogP: 26.68
ACD/LogD (pH 5.5): 24.45
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 10000000.00
ACD/LogD (pH 7.4): 24.45
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 10000000.00
Polar Surface Area: 79 Å2
Polarizability: 113.1±0.5 10-24cm3
Surface Tension: 34.0±3.0 dyne/cm
Molar Volume: 1030.1±3.0 cm3

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