ChemSpider 2D Image | Trimethyl 2,5-dioxooctahydro-1,3,4-pentalenetricarboxylate | C14H16O8

Trimethyl 2,5-dioxooctahydro-1,3,4-pentalenetricarboxylate

  • Molecular FormulaC14H16O8
  • Average mass312.272 Da
  • Monoisotopic mass312.084503 Da
  • ChemSpider ID35762544

More details:

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

1,3,4-Pentalenetricarboxylic acid, octahydro-2,5-dioxo-, trimethyl ester [ACD/Index Name]
2,5-Dioxooctahydro-1,3,4-pentalènetricarboxylate de triméthyle [French] [ACD/IUPAC Name]
Trimethyl 2,5-dioxooctahydro-1,3,4-pentalenetricarboxylate [ACD/IUPAC Name]
Trimethyl-2,5-dioxooctahydro-1,3,4-pentalentricarboxylat [German] [ACD/IUPAC Name]
62708-46-7 [RN]
Trimethyl 2,5-dioxooctahydropentalene-1,3,4-tricarboxylate

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

Density: 1.4±0.1 g/cm3
Boiling Point: 446.9±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.1 mmHg at 25°C
Enthalpy of Vaporization: 70.5±3.0 kJ/mol
Flash Point: 199.0±28.8 °C
Index of Refraction: 1.507
Molar Refractivity: 68.1±0.3 cm3
#H bond acceptors: 8
#H bond donors: 0
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: -0.26
ACD/LogD (pH 5.5): 0.14
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 28.34
ACD/LogD (pH 7.4): 0.10
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 25.87
Polar Surface Area: 113 Å2
Polarizability: 27.0±0.5 10-24cm3
Surface Tension: 50.0±3.0 dyne/cm
Molar Volume: 228.8±3.0 cm3

Click to predict properties on the Chemicalize site


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