ChemSpider 2D Image | 4-(4-Isopropylphenyl)-2,2-dimethyl-4-oxobutanoic acid | C15H20O3

4-(4-Isopropylphenyl)-2,2-dimethyl-4-oxobutanoic acid

  • Molecular FormulaC15H20O3
  • Average mass248.318 Da
  • Monoisotopic mass248.141251 Da
  • ChemSpider ID21401970

More details:

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

4-(4-Isopropylphenyl)-2,2-dimethyl-4-oxobutanoic acid [ACD/IUPAC Name]
4-(4-Isopropylphenyl)-2,2-dimethyl-4-oxobutansäure [German] [ACD/IUPAC Name]
951893-22-4 [RN]
Acide 4-(4-isopropylphényl)-2,2-diméthyl-4-oxobutanoïque [French] [ACD/IUPAC Name]
Benzenebutanoic acid, α,α-dimethyl-4-(1-methylethyl)-γ-oxo- [ACD/Index Name]
2,2-DIMETHYL-4-(4-ISOPROPYLPHENYL)-4-OXOBUTYRIC ACID
MFCD09801831 [MDL number]

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

Density: 1.1±0.1 g/cm3
Boiling Point: 409.9±28.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.0 mmHg at 25°C
Enthalpy of Vaporization: 69.8±3.0 kJ/mol
Flash Point: 215.9±20.5 °C
Index of Refraction: 1.521
Molar Refractivity: 70.5±0.3 cm3
#H bond acceptors: 3
#H bond donors: 1
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 3.32
ACD/LogD (pH 5.5): 2.45
ACD/BCF (pH 5.5): 25.90
ACD/KOC (pH 5.5): 196.30
ACD/LogD (pH 7.4): 0.65
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 3.09
Polar Surface Area: 54 Å2
Polarizability: 28.0±0.5 10-24cm3
Surface Tension: 40.2±3.0 dyne/cm
Molar Volume: 231.7±3.0 cm3

Click to predict properties on the Chemicalize site


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