ChemSpider 2D Image | 1,4,7-Heptanetriyl trioctanoate | C31H58O6

1,4,7-Heptanetriyl trioctanoate

  • Molecular FormulaC31H58O6
  • Average mass526.789 Da
  • Monoisotopic mass526.423340 Da
  • ChemSpider ID197669

More details:

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

1,4,7-Heptanetriyl trioctanoate [ACD/IUPAC Name]
1,4,7-Heptantriyl-trioctanoat [German] [ACD/IUPAC Name]
Octanoic acid, 1,4,7-heptanetriyl ester [ACD/Index Name]
Trioctanoate de 1,4,7-heptanetriyle [French] [ACD/IUPAC Name]

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

NSC18571 [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: 580.3±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.6 mmHg at 25°C
Enthalpy of Vaporization: 86.8±3.0 kJ/mol
Flash Point: 236.6±28.8 °C
Index of Refraction: 1.460
Molar Refractivity: 151.0±0.3 cm3
#H bond acceptors: 6
#H bond donors: 0
#Freely Rotating Bonds: 30
#Rule of 5 Violations: 2
ACD/LogP: 11.13
ACD/LogD (pH 5.5): 11.07
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 10000000.00
ACD/LogD (pH 7.4): 11.07
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 10000000.00
Polar Surface Area: 79 Å2
Polarizability: 59.8±0.5 10-24cm3
Surface Tension: 34.7±3.0 dyne/cm
Molar Volume: 551.1±3.0 cm3

Click to predict properties on the Chemicalize site


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