ChemSpider 2D Image | Ethyl 2-(4-isopropylbenzyl)-3-oxobutanoate | C16H22O3

Ethyl 2-(4-isopropylbenzyl)-3-oxobutanoate

  • Molecular FormulaC16H22O3
  • Average mass262.344 Da
  • Monoisotopic mass262.156891 Da
  • ChemSpider ID25578072

More details:

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

2-(4-Isopropylbenzyl)-3-oxobutanoate d'éthyle [French] [ACD/IUPAC Name]
Benzenepropanoic acid, α-acetyl-4-(1-methylethyl)-, ethyl ester [ACD/Index Name]
Ethyl 2-(4-isopropylbenzyl)-3-oxobutanoate [ACD/IUPAC Name]
Ethyl-2-(4-isopropylbenzyl)-3-oxobutanoat [German] [ACD/IUPAC Name]
93163-83-8 [RN]
benzenepropanoic acid, α-acetyl-4-(1-methylethyl), ethyl ester
ETHYL 2-[(4-ISOPROPYLPHENYL)METHYL]-3-OXOBUTANOATE
ethyl 3-oxo-2-[(4-propan-2-ylphenyl)methyl]butanoate
ETHYL 3-OXO-2-{[4-(PROPAN-2-YL)PHENYL]METHYL}BUTANOATE
MFCD16334275 [MDL number]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.0±0.1 g/cm3
Boiling Point: 350.2±27.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.8 mmHg at 25°C
Enthalpy of Vaporization: 59.5±3.0 kJ/mol
Flash Point: 150.3±23.8 °C
Index of Refraction: 1.497
Molar Refractivity: 74.9±0.3 cm3
#H bond acceptors: 3
#H bond donors: 0
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 0
ACD/LogP: 3.86
ACD/LogD (pH 5.5): 3.90
ACD/BCF (pH 5.5): 545.87
ACD/KOC (pH 5.5): 3168.20
ACD/LogD (pH 7.4): 3.90
ACD/BCF (pH 7.4): 545.81
ACD/KOC (pH 7.4): 3167.86
Polar Surface Area: 43 Å2
Polarizability: 29.7±0.5 10-24cm3
Surface Tension: 35.6±3.0 dyne/cm
Molar Volume: 255.8±3.0 cm3

Click to predict properties on the Chemicalize site


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