ChemSpider 2D Image | 1-[(10-Methylundecanoyl)oxy]-3-(octanoyloxy)-2-propanyl 14-methylpentadecanoate | C39H74O6

1-[(10-Methylundecanoyl)oxy]-3-(octanoyloxy)-2-propanyl 14-methylpentadecanoate

  • Molecular FormulaC39H74O6
  • Average mass639.001 Da
  • Monoisotopic mass638.548523 Da
  • ChemSpider ID59673723

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

1-[(10-Methylundecanoyl)oxy]-3-(octanoyloxy)-2-propanyl 14-methylpentadecanoate [ACD/IUPAC Name]
1-[(10-Methylundecanoyl)oxy]-3-(octanoyloxy)-2-propanyl-14-methylpentadecanoat [German] [ACD/IUPAC Name]
14-Méthylpentadécanoate de 1-[(10-méthylundecanoyl)oxy]-3-(octanoyloxy)-2-propanyle [French] [ACD/IUPAC Name]
Pentadecanoic acid, 14-methyl-, 2-[(10-methyl-1-oxoundecyl)oxy]-1-[[(1-oxooctyl)oxy]methyl]ethyl ester [ACD/Index Name]
(2S)-1-[(10-methylundecanoyl)oxy]-3-(octanoyloxy)propan-2-yl 14-methylpentadecanoate
TG(8:0/i-16:0/i-12:0)

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: 637.8±22.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.9 mmHg at 25°C
Enthalpy of Vaporization: 94.2±3.0 kJ/mol
Flash Point: 251.2±22.4 °C
Index of Refraction: 1.462
Molar Refractivity: 187.9±0.3 cm3
#H bond acceptors: 6
#H bond donors: 0
#Freely Rotating Bonds: 36
#Rule of 5 Violations: 2
ACD/LogP: 15.34
ACD/LogD (pH 5.5): 13.36
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 10000000.00
ACD/LogD (pH 7.4): 13.36
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 10000000.00
Polar Surface Area: 79 Å2
Polarizability: 74.5±0.5 10-24cm3
Surface Tension: 33.9±3.0 dyne/cm
Molar Volume: 683.9±3.0 cm3

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