ChemSpider 2D Image | TRIISOCETYL CITRATE | C54H104O7

TRIISOCETYL CITRATE

  • Molecular FormulaC54H104O7
  • Average mass865.399 Da
  • Monoisotopic mass864.778198 Da
  • ChemSpider ID8051711

More details:

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

1,2,3-Propanetricarboxylic acid, 2-hydroxy-, tris(14-methylpentadecyl) ester [ACD/Index Name]
93385-14-9 [RN]
Citrate de tris(14-méthylpentadécyle) [French] [ACD/IUPAC Name]
TRIISOCETYL CITRATE
Tris(14-methylpentadecyl) citrate [ACD/IUPAC Name]
Tris(14-methylpentadecyl)citrat [German] [ACD/IUPAC Name]
1,2,3-TRIS(14-METHYLPENTADECYL) 2-HYDROXYPROPANE-1,2,3-TRICARBOXYLATE
tris(14-methylpentadecyl) 2-hydroxypropane-1,2,3-tricarboxylate

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

0ZRR29B77H [DBID]
UNII:0ZRR29B77H [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: 781.6±27.0 °C at 760 mmHg
Vapour Pressure: 0.0±6.1 mmHg at 25°C
Enthalpy of Vaporization: 129.6±6.0 kJ/mol
Flash Point: 195.2±17.2 °C
Index of Refraction: 1.469
Molar Refractivity: 258.9±0.3 cm3
#H bond acceptors: 7
#H bond donors: 1
#Freely Rotating Bonds: 50
#Rule of 5 Violations: 2
ACD/LogP: 23.26
ACD/LogD (pH 5.5): 19.34
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 10000000.00
ACD/LogD (pH 7.4): 19.34
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 10000000.00
Polar Surface Area: 99 Å2
Polarizability: 102.6±0.5 10-24cm3
Surface Tension: 34.9±3.0 dyne/cm
Molar Volume: 929.0±3.0 cm3

Click to predict properties on the Chemicalize site


Advertisement