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Search term: 74873876 (Found by CSID)
ChemSpider 2D Image | 2-[(12-Methyltridecanoyl)oxy]-3-(pentadecanoyloxy)propyl 17-methyloctadecanoate | C51H98O6

2-[(12-Methyltridecanoyl)oxy]-3-(pentadecanoyloxy)propyl 17-methyloctadecanoate

  • Molecular FormulaC51H98O6
  • Average mass807.320 Da
  • Monoisotopic mass806.736328 Da
  • ChemSpider ID74873876

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

17-Méthyloctadécanoate de 2-[(12-méthyltridecanoyl)oxy]-3-(pentadecanoyloxy)propyle [French] [ACD/IUPAC Name]
2-[(12-Methyltridecanoyl)oxy]-3-(pentadecanoyloxy)propyl 17-methyloctadecanoate [ACD/IUPAC Name]
2-[(12-Methyltridecanoyl)oxy]-3-(pentadecanoyloxy)propyl-17-methyloctadecanoat [German] [ACD/IUPAC Name]
Octadecanoic acid, 17-methyl-, 2-[(12-methyl-1-oxotridecyl)oxy]-3-[(1-oxopentadecyl)oxy]propyl ester [ACD/Index Name]
(2R)-2-[(12-methyltridecanoyl)oxy]-3-(pentadecanoyloxy)propyl 17-methyloctadecanoate
TG(i-19:0/i-14:0/15:0)

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: 755.0±27.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.5 mmHg at 25°C
Enthalpy of Vaporization: 110.0±3.0 kJ/mol
Flash Point: 284.1±23.8 °C
Index of Refraction: 1.464
Molar Refractivity: 243.5±0.3 cm3
#H bond acceptors: 6
#H bond donors: 0
#Freely Rotating Bonds: 48
#Rule of 5 Violations: 2
ACD/LogP: 21.71
ACD/LogD (pH 5.5): 19.32
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 10000000.00
ACD/LogD (pH 7.4): 19.32
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 10000000.00
Polar Surface Area: 79 Å2
Polarizability: 96.5±0.5 10-24cm3
Surface Tension: 33.9±3.0 dyne/cm
Molar Volume: 882.0±3.0 cm3

Click to predict properties on the Chemicalize site


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