ChemSpider 2D Image | Dimethyl 5,6-bis(4-hydroxyphenyl)-7-oxabicyclo[2.2.1]hepta-2,5-diene-2,3-dicarboxylate | C22H18O7

Dimethyl 5,6-bis(4-hydroxyphenyl)-7-oxabicyclo[2.2.1]hepta-2,5-diene-2,3-dicarboxylate

  • Molecular FormulaC22H18O7
  • Average mass394.374 Da
  • Monoisotopic mass394.105255 Da
  • ChemSpider ID22377390

More details:

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

5,6-Bis(4-hydroxyphényl)-7-oxabicyclo[2.2.1]hepta-2,5-diène-2,3-dicarboxylate de diméthyle [French] [ACD/IUPAC Name]
7-Oxabicyclo[2.2.1]hepta-2,5-diene-2,3-dicarboxylic acid, 5,6-bis(4-hydroxyphenyl)-, dimethyl ester [ACD/Index Name]
Dimethyl 5,6-bis(4-hydroxyphenyl)-7-oxabicyclo[2.2.1]hepta-2,5-diene-2,3-dicarboxylate [ACD/IUPAC Name]
Dimethyl-5,6-bis(4-hydroxyphenyl)-7-oxabicyclo[2.2.1]hepta-2,5-dien-2,3-dicarboxylat [German] [ACD/IUPAC Name]
5,6-bis-(4-hydroxyphenyl)-7-oxabicyclo[2.2.1]hepta-2,5-diene-2,3-dicarboxylic acid dimethyl ester

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

Density: 1.4±0.1 g/cm3
Boiling Point: 574.2±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.6 mmHg at 25°C
Enthalpy of Vaporization: 89.2±3.0 kJ/mol
Flash Point: 202.5±23.6 °C
Index of Refraction: 1.656
Molar Refractivity: 101.1±0.3 cm3
#H bond acceptors: 7
#H bond donors: 2
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 4.95
ACD/LogD (pH 5.5): 3.45
ACD/BCF (pH 5.5): 248.56
ACD/KOC (pH 5.5): 1804.07
ACD/LogD (pH 7.4): 3.45
ACD/BCF (pH 7.4): 247.59
ACD/KOC (pH 7.4): 1796.97
Polar Surface Area: 102 Å2
Polarizability: 40.1±0.5 10-24cm3
Surface Tension: 63.5±3.0 dyne/cm
Molar Volume: 275.3±3.0 cm3

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