ChemSpider 2D Image | Methyl 2-[(4-butyl-7-methyl-2-oxo-2H-chromen-5-yl)oxy]propanoate | C18H22O5

Methyl 2-[(4-butyl-7-methyl-2-oxo-2H-chromen-5-yl)oxy]propanoate

  • Molecular FormulaC18H22O5
  • Average mass318.364 Da
  • Monoisotopic mass318.146729 Da
  • ChemSpider ID21749886

More details:

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

2-[(4-Butyl-7-méthyl-2-oxo-2H-chromén-5-yl)oxy]propanoate de méthyle [French] [ACD/IUPAC Name]
Methyl 2-[(4-butyl-7-methyl-2-oxo-2H-chromen-5-yl)oxy]propanoate [ACD/IUPAC Name]
Methyl-2-[(4-butyl-7-methyl-2-oxo-2H-chromen-5-yl)oxy]propanoat [German] [ACD/IUPAC Name]
Propanoic acid, 2-[(4-butyl-7-methyl-2-oxo-2H-1-benzopyran-5-yl)oxy]-, methyl ester [ACD/Index Name]
1017421-12-3 [RN]
2-(4-Butyl-7-methyl-2-oxo-2H-chromen-5-yloxy)-propionic acid methyl ester
methyl 2-((4-butyl-7-methyl-2-oxo-2H-chromen-5-yl)oxy)propanoate
METHYL 2-[(4-BUTYL-7-METHYL-2-OXOCHROMEN-5-YL)OXY]PROPANOATE

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

Density: 1.1±0.1 g/cm3
Boiling Point: 464.5±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.1 mmHg at 25°C
Enthalpy of Vaporization: 72.6±3.0 kJ/mol
Flash Point: 204.2±28.8 °C
Index of Refraction: 1.524
Molar Refractivity: 85.5±0.3 cm3
#H bond acceptors: 5
#H bond donors: 0
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 0
ACD/LogP: 4.11
ACD/LogD (pH 5.5): 3.97
ACD/BCF (pH 5.5): 617.49
ACD/KOC (pH 5.5): 3460.46
ACD/LogD (pH 7.4): 3.97
ACD/BCF (pH 7.4): 617.49
ACD/KOC (pH 7.4): 3460.46
Polar Surface Area: 62 Å2
Polarizability: 33.9±0.5 10-24cm3
Surface Tension: 40.1±3.0 dyne/cm
Molar Volume: 279.3±3.0 cm3

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