ChemSpider 2D Image | Methyl 8-(3-methoxy-3-methylbutyl)-2-methyl-4-quinolinecarboxylate | C18H23NO3

Methyl 8-(3-methoxy-3-methylbutyl)-2-methyl-4-quinolinecarboxylate

  • Molecular FormulaC18H23NO3
  • Average mass301.380 Da
  • Monoisotopic mass301.167786 Da
  • ChemSpider ID26346389

More details:






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

4-Quinolinecarboxylic acid, 8-(3-methoxy-3-methylbutyl)-2-methyl-, methyl ester [ACD/Index Name]
8-(3-Méthoxy-3-méthylbutyl)-2-méthyl-4-quinoléinecarboxylate de méthyle [French] [ACD/IUPAC Name]
Methyl 8-(3-methoxy-3-methylbutyl)-2-methyl-4-quinolinecarboxylate [ACD/IUPAC Name]
Methyl-8-(3-methoxy-3-methylbutyl)-2-methyl-4-chinolincarboxylat [German] [ACD/IUPAC Name]
methyl 8-(3-methoxy-3-methylbutyl)-2-methylquinoline-4-carboxylate

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

Density: 1.1±0.1 g/cm3
Boiling Point: 414.4±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.0 mmHg at 25°C
Enthalpy of Vaporization: 66.7±3.0 kJ/mol
Flash Point: 204.4±28.7 °C
Index of Refraction: 1.554
Molar Refractivity: 88.6±0.3 cm3
#H bond acceptors: 4
#H bond donors: 0
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 3.93
ACD/LogD (pH 5.5): 4.30
ACD/BCF (pH 5.5): 1085.94
ACD/KOC (pH 5.5): 5164.75
ACD/LogD (pH 7.4): 4.30
ACD/BCF (pH 7.4): 1099.74
ACD/KOC (pH 7.4): 5230.41
Polar Surface Area: 48 Å2
Polarizability: 35.1±0.5 10-24cm3
Surface Tension: 40.8±3.0 dyne/cm
Molar Volume: 276.2±3.0 cm3

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