ChemSpider 2D Image | Dimethyl 5,6,11,12,17,18,19,20-octadehydrotribenzo[a,e,i][14]annulene-2,15-dicarboxylate | C30H16O4

Dimethyl 5,6,11,12,17,18,19,20-octadehydrotribenzo[a,e,i][14]annulene-2,15-dicarboxylate

  • Molecular FormulaC30H16O4
  • Average mass440.446 Da
  • Monoisotopic mass440.104858 Da
  • ChemSpider ID30661338

More details:

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

5,6,11,12,17,18,19,20-Octadéhydrotribenzo[a,e,i][14]annulène-2,15-dicarboxylate de diméthyle [French] [ACD/IUPAC Name]
Dimethyl 5,6,11,12,17,18,19,20-octadehydrotribenzo[a,e,i][14]annulene-2,15-dicarboxylate [ACD/IUPAC Name]
Dimethyl-5,6,11,12,17,18,19,20-octadehydrotribenzo[a,e,i][14]annulen-2,15-dicarboxylat [German] [ACD/IUPAC Name]
Tribenzo[a,e,i]cyclotetradecene-2,15-dicarboxylic acid, 5,6,11,12,17,18,19,20-octadehydro-, dimethyl ester [ACD/Index Name]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 664.1±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.0 mmHg at 25°C
Enthalpy of Vaporization: 97.7±3.0 kJ/mol
Flash Point: 345.2±29.9 °C
Index of Refraction: 1.705
Molar Refractivity: 125.4±0.4 cm3
#H bond acceptors: 4
#H bond donors: 0
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 1
ACD/LogP: 9.70
ACD/LogD (pH 5.5): 7.50
ACD/BCF (pH 5.5): 294718.94
ACD/KOC (pH 5.5): 286138.53
ACD/LogD (pH 7.4): 7.50
ACD/BCF (pH 7.4): 294718.94
ACD/KOC (pH 7.4): 286138.53
Polar Surface Area: 53 Å2
Polarizability: 49.7±0.5 10-24cm3
Surface Tension: 76.5±5.0 dyne/cm
Molar Volume: 322.6±5.0 cm3

Click to predict properties on the Chemicalize site


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