ChemSpider 2D Image | Ethyl 8-[4-(2-methyl-2-propanyl)phenyl]-8-oxooctanoate | C20H30O3

Ethyl 8-[4-(2-methyl-2-propanyl)phenyl]-8-oxooctanoate

  • Molecular FormulaC20H30O3
  • Average mass318.450 Da
  • Monoisotopic mass318.219482 Da
  • ChemSpider ID21402319

More details:

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

8-[4-(2-Méthyl-2-propanyl)phényl]-8-oxooctanoate d'éthyle [French] [ACD/IUPAC Name]
898778-50-2 [RN]
Benzeneoctanoic acid, 4-(1,1-dimethylethyl)-η-oxo-, ethyl ester [ACD/Index Name]
Ethyl 8-[4-(2-methyl-2-propanyl)phenyl]-8-oxooctanoate [ACD/IUPAC Name]
Ethyl-8-[4-(2-methyl-2-propanyl)phenyl]-8-oxooctanoat [German] [ACD/IUPAC Name]
Ethyl 8-(4-t-butylphenyl)-8-oxooctanoate
ethyl 8-(4-tert-butylphenyl)-8-oxooctanoate
ETHYL8-(4-T-BUTYLPHENYL)-8-OXOOCTANOATE
MFCD02261398 [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: 423.4±38.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.0 mmHg at 25°C
Enthalpy of Vaporization: 67.8±3.0 kJ/mol
Flash Point: 181.7±26.8 °C
Index of Refraction: 1.490
Molar Refractivity: 93.5±0.3 cm3
#H bond acceptors: 3
#H bond donors: 0
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 1
ACD/LogP: 5.43
ACD/LogD (pH 5.5): 5.28
ACD/BCF (pH 5.5): 6103.85
ACD/KOC (pH 5.5): 17837.21
ACD/LogD (pH 7.4): 5.28
ACD/BCF (pH 7.4): 6103.85
ACD/KOC (pH 7.4): 17837.21
Polar Surface Area: 43 Å2
Polarizability: 37.1±0.5 10-24cm3
Surface Tension: 34.5±3.0 dyne/cm
Molar Volume: 323.2±3.0 cm3

Click to predict properties on the Chemicalize site


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