ChemSpider 2D Image | Trioctyl citrate | C30H56O7

Trioctyl citrate

  • Molecular FormulaC30H56O7
  • Average mass528.761 Da
  • Monoisotopic mass528.402588 Da
  • ChemSpider ID8004090

More details:

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

1,2,3-Propanetricarboxylic acid, 2-hydroxy-, trioctyl ester [ACD/Index Name]
16502-99-1 [RN]
Citrate de trioctyle [French] [ACD/IUPAC Name]
TRICAPRYLYL CITRATE
Trioctyl citrate [ACD/IUPAC Name]
Trioctylcitrat [German] [ACD/IUPAC Name]
1,2,3-trioctyl 2-hydroxypropane-1,2,3-tricarboxylate
76414-35-2 [RN]

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

BXW1GAI4TA [DBID]
UNII:BXW1GAI4TA [DBID]
UNII-BXW1GAI4TA [DBID]

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

Density: 1.0±0.1 g/cm3
Boiling Point: 546.5±17.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.3 mmHg at 25°C
Enthalpy of Vaporization: 94.9±6.0 kJ/mol
Flash Point: 155.6±14.4 °C
Index of Refraction: 1.468
Molar Refractivity: 147.9±0.3 cm3
#H bond acceptors: 7
#H bond donors: 1
#Freely Rotating Bonds: 29
#Rule of 5 Violations: 2
ACD/LogP: 11.06
ACD/LogD (pH 5.5): 10.47
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 10000000.00
ACD/LogD (pH 7.4): 10.47
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 10000000.00
Polar Surface Area: 99 Å2
Polarizability: 58.6±0.5 10-24cm3
Surface Tension: 37.0±3.0 dyne/cm
Molar Volume: 531.7±3.0 cm3

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