ChemSpider 2D Image | MFCD00198038 | C42H80O6

MFCD00198038

  • Molecular FormulaC42H80O6
  • Average mass681.081 Da
  • Monoisotopic mass680.595520 Da
  • ChemSpider ID105278

More details:

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

1,2,3-Propanetriyl tritridecanoate [ACD/IUPAC Name]
1,2,3-Propantriyl-tritridecanoat [German] [ACD/IUPAC Name]
1,2,3-Tritridecanoyl Glycerol
1,2,3-Tritridecanoylglycerol
26536-12-9 [RN]
Glyceryl tritridecanoate
MFCD00198038
TG(13:0/13:0/13:0)
Tridecanoic acid, 1,2,3-propanetriyl ester [ACD/Index Name]
Tritridécanoate de 1,2,3-propanetriyle [French] [ACD/IUPAC Name]
More...

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

YN56Q9YH9J [DBID]
93495_FLUKA [DBID]
BRN 1810343 [DBID]
T3882_SIGMA [DBID]
T5534_SIGMA [DBID]
UNII:YN56Q9YH9J [DBID]
UNII-43AGM4PHPI [DBID]
UNII-YN56Q9YH9J [DBID]

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

Density: 0.9±0.1 g/cm3
Boiling Point: 673.9±22.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.1 mmHg at 25°C
Enthalpy of Vaporization: 99.0±3.0 kJ/mol
Flash Point: 262.6±22.4 °C
Index of Refraction: 1.463
Molar Refractivity: 201.9±0.3 cm3
#H bond acceptors: 6
#H bond donors: 0
#Freely Rotating Bonds: 41
#Rule of 5 Violations: 2
ACD/LogP: 17.30
ACD/LogD (pH 5.5): 16.77
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 10000000.00
ACD/LogD (pH 7.4): 16.77
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 10000000.00
Polar Surface Area: 79 Å2
Polarizability: 80.0±0.5 10-24cm3
Surface Tension: 34.4±3.0 dyne/cm
Molar Volume: 732.6±3.0 cm3

Click to predict properties on the Chemicalize site


Advertisement