ChemSpider 2D Image | Ethyl 6-[4-(2-methyl-2-propanyl)phenyl]-6-oxohexanoate | C18H26O3

Ethyl 6-[4-(2-methyl-2-propanyl)phenyl]-6-oxohexanoate

  • Molecular FormulaC18H26O3
  • Average mass290.397 Da
  • Monoisotopic mass290.188202 Da
  • ChemSpider ID21402317

More details:

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

6-[4-(2-Méthyl-2-propanyl)phényl]-6-oxohexanoate d'éthyle [French] [ACD/IUPAC Name]
898778-44-4 [RN]
Benzenehexanoic acid, 4-(1,1-dimethylethyl)-ε-oxo-, ethyl ester [ACD/Index Name]
Ethyl 6-[4-(2-methyl-2-propanyl)phenyl]-6-oxohexanoate [ACD/IUPAC Name]
Ethyl-6-[4-(2-methyl-2-propanyl)phenyl]-6-oxohexanoat [German] [ACD/IUPAC Name]
ethyl 6-(4-t-butylphenyl)-6-oxohexanoate
ethyl 6-(4-tert-butylphenyl)-6-oxohexanoate
ETHYL6-(4-T-BUTYLPHENYL)-6-OXOHEXANOATE
MFCD02261396 [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: 395.6±35.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.9 mmHg at 25°C
Enthalpy of Vaporization: 64.6±3.0 kJ/mol
Flash Point: 170.6±26.0 °C
Index of Refraction: 1.492
Molar Refractivity: 84.2±0.3 cm3
#H bond acceptors: 3
#H bond donors: 0
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 0
ACD/LogP: 4.64
ACD/LogD (pH 5.5): 4.53
ACD/BCF (pH 5.5): 1621.78
ACD/KOC (pH 5.5): 6907.33
ACD/LogD (pH 7.4): 4.53
ACD/BCF (pH 7.4): 1621.78
ACD/KOC (pH 7.4): 6907.33
Polar Surface Area: 43 Å2
Polarizability: 33.4±0.5 10-24cm3
Surface Tension: 34.6±3.0 dyne/cm
Molar Volume: 290.2±3.0 cm3

Click to predict properties on the Chemicalize site


Advertisement