ChemSpider 2D Image | Butyryl trihexyl citrate | C28H50O8

Butyryl trihexyl citrate

  • Molecular FormulaC28H50O8
  • Average mass514.692 Da
  • Monoisotopic mass514.350586 Da
  • ChemSpider ID118086

More details:

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

1,2,3-Propanetricarboxylic acid, 2-(1-oxobutoxy)-, trihexyl ester [ACD/Index Name]
1,2,3-TRIHEXYL 2-(BUTANOYLOXY)PROPANE-1,2,3-TRICARBOXYLATE
2-(Butyryloxy)-1,2,3-propanetricarboxylate de trihexyle [French] [ACD/IUPAC Name]
82469-79-2 [RN]
Butyryl trihexyl citrate
butyryltri-n-hexylcitrate
Trihexyl 2-(butyryloxy)-1,2,3-propanetricarboxylate [ACD/IUPAC Name]
Trihexyl-2-(butyryloxy)-1,2,3-propantricarboxylat [German] [ACD/IUPAC Name]
1,2,3-trihexyl 2-(1-oxobutoxy)propane-1,2,3-tricarboxylate
1,2,3-trihexyl 2-butanoyloxypropane-1,2,3-tricarboxylate
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Validated by Experts, Validated by Users, Non-Validated, Removed by Users

M4974DI70C [DBID]
UNII:M4974DI70C [DBID]
UNII-M4974DI70C [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: 522.3±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.4 mmHg at 25°C
Enthalpy of Vaporization: 79.6±3.0 kJ/mol
Flash Point: 213.9±28.8 °C
Index of Refraction: 1.462
Molar Refractivity: 138.8±0.3 cm3
#H bond acceptors: 8
#H bond donors: 0
#Freely Rotating Bonds: 27
#Rule of 5 Violations: 2
ACD/LogP: 11.17
ACD/LogD (pH 5.5): 9.73
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 4660579.00
ACD/LogD (pH 7.4): 9.73
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 4660579.00
Polar Surface Area: 105 Å2
Polarizability: 55.0±0.5 10-24cm3
Surface Tension: 36.5±3.0 dyne/cm
Molar Volume: 504.7±3.0 cm3

Click to predict properties on the Chemicalize site


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