ChemSpider 2D Image | Methyl 3-[2-(4-formyl-2-methoxyphenoxy)ethoxy]benzoate | C18H18O6

Methyl 3-[2-(4-formyl-2-methoxyphenoxy)ethoxy]benzoate

  • Molecular FormulaC18H18O6
  • Average mass330.332 Da
  • Monoisotopic mass330.110352 Da
  • ChemSpider ID28602665

More details:






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

1171935-91-3 [RN]
3-[2-(4-Formyl-2-méthoxyphénoxy)éthoxy]benzoate de méthyle [French] [ACD/IUPAC Name]
Benzoic acid, 3-[2-(4-formyl-2-methoxyphenoxy)ethoxy]-, methyl ester [ACD/Index Name]
Methyl 3-[2-(4-formyl-2-methoxyphenoxy)ethoxy]benzoate [ACD/IUPAC Name]
Methyl-3-[2-(4-formyl-2-methoxyphenoxy)ethoxy]benzoat [German] [ACD/IUPAC Name]
benzoic acid, 3-[2-(4-formyl-2-methoxyphenoxy)ethoxy], methyl ester
Methyl 3-(2-(4-formyl-2-methoxyphenoxy)ethoxy)benzoate
MFCD20525003 [MDL number]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.2±0.1 g/cm3
Boiling Point: 502.0±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.3 mmHg at 25°C
Enthalpy of Vaporization: 77.1±3.0 kJ/mol
Flash Point: 221.9±28.8 °C
Index of Refraction: 1.569
Molar Refractivity: 89.0±0.3 cm3
#H bond acceptors: 6
#H bond donors: 0
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 0
ACD/LogP: 3.24
ACD/LogD (pH 5.5): 3.28
ACD/BCF (pH 5.5): 182.53
ACD/KOC (pH 5.5): 1446.33
ACD/LogD (pH 7.4): 3.28
ACD/BCF (pH 7.4): 182.53
ACD/KOC (pH 7.4): 1446.33
Polar Surface Area: 71 Å2
Polarizability: 35.3±0.5 10-24cm3
Surface Tension: 44.5±3.0 dyne/cm
Molar Volume: 271.9±3.0 cm3

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