ChemSpider 2D Image | Hexaethyl 2-ethoxytricyclo[6.3.2.0~2,7~]trideca-3,5,10,12-tetraene-3,4,5,6,9,10-hexacarboxylate | C33H42O13

Hexaethyl 2-ethoxytricyclo[6.3.2.02,7]trideca-3,5,10,12-tetraene-3,4,5,6,9,10-hexacarboxylate

  • Molecular FormulaC33H42O13
  • Average mass646.679 Da
  • Monoisotopic mass646.262512 Da
  • ChemSpider ID2621790

More details:

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

2-Éthoxytricyclo[6.3.2.02,7]tridéca-3,5,10,12-tétraène-3,4,5,6,9,10-hexacarboxylate de hexaéthyle [French] [ACD/IUPAC Name]
5,9-Etheno-5H-benzocycloheptene-1,2,3,4,6,7-hexacarboxylic acid, 9a-ethoxy-4a,6,9,9a-tetrahydro-, hexaethyl ester [ACD/Index Name]
Hexaethyl 2-ethoxytricyclo[6.3.2.02,7]trideca-3,5,10,12-tetraene-3,4,5,6,9,10-hexacarboxylate [ACD/IUPAC Name]
Hexaethyl-2-ethoxytricyclo[6.3.2.02,7]trideca-3,5,10,12-tetraen-3,4,5,6,9,10-hexacarboxylat [German] [ACD/IUPAC Name]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 689.5±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.2 mmHg at 25°C
Enthalpy of Vaporization: 101.1±3.0 kJ/mol
Flash Point: 282.4±31.5 °C
Index of Refraction: 1.541
Molar Refractivity: 160.0±0.4 cm3
#H bond acceptors: 13
#H bond donors: 0
#Freely Rotating Bonds: 20
#Rule of 5 Violations: 3
ACD/LogP: 8.11
ACD/LogD (pH 5.5): 6.47
ACD/BCF (pH 5.5): 48829.69
ACD/KOC (pH 5.5): 79020.95
ACD/LogD (pH 7.4): 6.47
ACD/BCF (pH 7.4): 48829.69
ACD/KOC (pH 7.4): 79020.95
Polar Surface Area: 167 Å2
Polarizability: 63.4±0.5 10-24cm3
Surface Tension: 50.6±5.0 dyne/cm
Molar Volume: 508.9±5.0 cm3

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