ChemSpider 2D Image | Ethyl 7-(4-isopropylphenyl)-7-oxoheptanoate | C18H26O3

Ethyl 7-(4-isopropylphenyl)-7-oxoheptanoate

  • Molecular FormulaC18H26O3
  • Average mass290.397 Da
  • Monoisotopic mass290.188202 Da
  • ChemSpider ID21402314

More details:

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

122115-50-8 [RN]
7-(4-Isopropylphényl)-7-oxoheptanoate d'éthyle [French] [ACD/IUPAC Name]
Benzeneheptanoic acid, 4-(1-methylethyl)-ζ-oxo-, ethyl ester [ACD/Index Name]
Ethyl 7-(4-isopropylphenyl)-7-oxoheptanoate [ACD/IUPAC Name]
Ethyl-7-(4-isopropylphenyl)-7-oxoheptanoat [German] [ACD/IUPAC Name]
ethyl 7-oxo-7-(4-propan-2-ylphenyl)heptanoate
Ethyl 7-oxo-7-[4-(propan-2-yl)phenyl]heptanoate
MFCD02261387 [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: 398.0±25.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.9 mmHg at 25°C
Enthalpy of Vaporization: 64.9±3.0 kJ/mol
Flash Point: 171.8±23.2 °C
Index of Refraction: 1.496
Molar Refractivity: 84.7±0.3 cm3
#H bond acceptors: 3
#H bond donors: 0
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 0
ACD/LogP: 4.55
ACD/LogD (pH 5.5): 4.30
ACD/BCF (pH 5.5): 1087.12
ACD/KOC (pH 5.5): 5187.61
ACD/LogD (pH 7.4): 4.30
ACD/BCF (pH 7.4): 1087.12
ACD/KOC (pH 7.4): 5187.61
Polar Surface Area: 43 Å2
Polarizability: 33.6±0.5 10-24cm3
Surface Tension: 36.0±3.0 dyne/cm
Molar Volume: 290.1±3.0 cm3

Click to predict properties on the Chemicalize site


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