ChemSpider 2D Image | Methyl 2-oxo-2H-chromen-7-yl terephthalate | C18H12O6

Methyl 2-oxo-2H-chromen-7-yl terephthalate

  • Molecular FormulaC18H12O6
  • Average mass324.284 Da
  • Monoisotopic mass324.063385 Da
  • ChemSpider ID22430236

More details:

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

1,4-Benzenedicarboxylic acid, methyl 2-oxo-2H-1-benzopyran-7-yl ester [ACD/Index Name]
Methyl 2-oxo-2H-chromen-7-yl terephthalate [ACD/IUPAC Name]
Methyl-2-oxo-2H-chromen-7-yl-terephthalat [German] [ACD/IUPAC Name]
Téréphtalate de méthyle et de 2-oxo-2H-chromén-7-yle [French] [ACD/IUPAC 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: 528.8±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.4 mmHg at 25°C
Enthalpy of Vaporization: 80.4±3.0 kJ/mol
Flash Point: 235.9±30.2 °C
Index of Refraction: 1.615
Molar Refractivity: 83.2±0.3 cm3
#H bond acceptors: 6
#H bond donors: 0
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 3.17
ACD/LogD (pH 5.5): 3.22
ACD/BCF (pH 5.5): 164.24
ACD/KOC (pH 5.5): 1341.05
ACD/LogD (pH 7.4): 3.22
ACD/BCF (pH 7.4): 164.24
ACD/KOC (pH 7.4): 1341.05
Polar Surface Area: 79 Å2
Polarizability: 33.0±0.5 10-24cm3
Surface Tension: 54.3±3.0 dyne/cm
Molar Volume: 238.4±3.0 cm3

Click to predict properties on the Chemicalize site


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