ChemSpider 2D Image | ethyl 6-(3,5-dimethyl-4-methoxyphenyl)-6-oxohexanoate | C17H24O4

ethyl 6-(3,5-dimethyl-4-methoxyphenyl)-6-oxohexanoate

  • Molecular FormulaC17H24O4
  • Average mass292.370 Da
  • Monoisotopic mass292.167450 Da
  • ChemSpider ID21402070

More details:

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

6-(4-Méthoxy-3,5-diméthylphényl)-6-oxohexanoate d'éthyle [French] [ACD/IUPAC Name]
898751-06-9 [RN]
Benzenehexanoic acid, 4-methoxy-3,5-dimethyl-ε-oxo-, ethyl ester [ACD/Index Name]
ethyl 6-(3,5-dimethyl-4-methoxyphenyl)-6-oxohexanoate
Ethyl 6-(4-methoxy-3,5-dimethylphenyl)-6-oxohexanoate [ACD/IUPAC Name]
Ethyl-6-(4-methoxy-3,5-dimethylphenyl)-6-oxohexanoat [German] [ACD/IUPAC Name]
ETHYL6-(3,5-DIMETHYL-4-METHOXYPHENYL)-6-OXOHEXANOATE
MFCD01320203 [MDL number]

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

Density: 1.0±0.1 g/cm3
Boiling Point: 417.3±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.0 mmHg at 25°C
Enthalpy of Vaporization: 67.1±3.0 kJ/mol
Flash Point: 182.1±28.8 °C
Index of Refraction: 1.499
Molar Refractivity: 82.2±0.3 cm3
#H bond acceptors: 4
#H bond donors: 0
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 0
ACD/LogP: 3.95
ACD/LogD (pH 5.5): 3.85
ACD/BCF (pH 5.5): 497.20
ACD/KOC (pH 5.5): 2963.31
ACD/LogD (pH 7.4): 3.85
ACD/BCF (pH 7.4): 497.20
ACD/KOC (pH 7.4): 2963.31
Polar Surface Area: 53 Å2
Polarizability: 32.6±0.5 10-24cm3
Surface Tension: 36.4±3.0 dyne/cm
Molar Volume: 280.0±3.0 cm3

Click to predict properties on the Chemicalize site


Advertisement