ChemSpider 2D Image | Ethyl 7-[4-(2-methyl-2-propanyl)phenyl]-7-oxoheptanoate | C19H28O3

Ethyl 7-[4-(2-methyl-2-propanyl)phenyl]-7-oxoheptanoate

  • Molecular FormulaC19H28O3
  • Average mass304.424 Da
  • Monoisotopic mass304.203857 Da
  • ChemSpider ID21402318

More details:

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

7-[4-(2-Méthyl-2-propanyl)phényl]-7-oxoheptanoate d'éthyle [French] [ACD/IUPAC Name]
Benzeneheptanoic acid, 4-(1,1-dimethylethyl)-ζ-oxo-, ethyl ester [ACD/Index Name]
Ethyl 7-[4-(2-methyl-2-propanyl)phenyl]-7-oxoheptanoate [ACD/IUPAC Name]
Ethyl-7-[4-(2-methyl-2-propanyl)phenyl]-7-oxoheptanoat [German] [ACD/IUPAC Name]
898778-47-7 [RN]
Ethyl 7-(4-t-butylphenyl)-7-oxoheptanoate
ethyl 7-(4-tert-butylphenyl)-7-oxoheptanoate
ETHYL7-(4-T-BUTYLPHENYL)-7-OXOHEPTANOATE
MFCD02261397 [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: 409.7±38.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.0 mmHg at 25°C
Enthalpy of Vaporization: 66.2±3.0 kJ/mol
Flash Point: 176.3±26.8 °C
Index of Refraction: 1.491
Molar Refractivity: 88.9±0.3 cm3
#H bond acceptors: 3
#H bond donors: 0
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 0
ACD/LogP: 4.90
ACD/LogD (pH 5.5): 4.91
ACD/BCF (pH 5.5): 3178.84
ACD/KOC (pH 5.5): 11181.98
ACD/LogD (pH 7.4): 4.91
ACD/BCF (pH 7.4): 3178.84
ACD/KOC (pH 7.4): 11181.98
Polar Surface Area: 43 Å2
Polarizability: 35.2±0.5 10-24cm3
Surface Tension: 34.6±3.0 dyne/cm
Molar Volume: 306.7±3.0 cm3

Click to predict properties on the Chemicalize site


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