ChemSpider 2D Image | 1-{[4-(2-Methyl-2-propanyl)cyclohexyl]oxy}-1-oxo-2-propanyl (2E)-3-(2,4-dichlorophenyl)acrylate | C22H28Cl2O4

1-{[4-(2-Methyl-2-propanyl)cyclohexyl]oxy}-1-oxo-2-propanyl (2E)-3-(2,4-dichlorophenyl)acrylate

  • Molecular FormulaC22H28Cl2O4
  • Average mass427.361 Da
  • Monoisotopic mass426.136475 Da
  • ChemSpider ID76117342

  • Double-bond stereo - Double-bond stereo

More details:

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

(2E)-3-(2,4-Dichlorophényl)acrylate de 1-{[4-(2-méthyl-2-propanyl)cyclohexyl]oxy}-1-oxo-2-propanyle [French] [ACD/IUPAC Name]
1-{[4-(2-Methyl-2-propanyl)cyclohexyl]oxy}-1-oxo-2-propanyl (2E)-3-(2,4-dichlorophenyl)acrylate [ACD/IUPAC Name]
1-{[4-(2-Methyl-2-propanyl)cyclohexyl]oxy}-1-oxo-2-propanyl-(2E)-3-(2,4-dichlorphenyl)acrylat [German] [ACD/IUPAC Name]
2-Propenoic acid, 3-(2,4-dichlorophenyl)-, 2-[[4-(1,1-dimethylethyl)cyclohexyl]oxy]-1-methyl-2-oxoethyl ester, (2E)- [ACD/Index Name]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 512.3±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.3 mmHg at 25°C
Enthalpy of Vaporization: 78.4±3.0 kJ/mol
Flash Point: 165.9±27.7 °C
Index of Refraction: 1.541
Molar Refractivity: 112.0±0.4 cm3
#H bond acceptors: 4
#H bond donors: 0
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 1
ACD/LogP: 7.32
ACD/LogD (pH 5.5): 6.54
ACD/BCF (pH 5.5): 55229.46
ACD/KOC (pH 5.5): 86303.33
ACD/LogD (pH 7.4): 6.54
ACD/BCF (pH 7.4): 55229.46
ACD/KOC (pH 7.4): 86303.33
Polar Surface Area: 53 Å2
Polarizability: 44.4±0.5 10-24cm3
Surface Tension: 44.1±5.0 dyne/cm
Molar Volume: 356.3±5.0 cm3

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