ChemSpider 2D Image | Ethyl N-[(2,4-dichlorophenoxy)acetyl]isovalyl-N-propyl-beta-alaninate | C21H30Cl2N2O5

Ethyl N-[(2,4-dichlorophenoxy)acetyl]isovalyl-N-propyl-β-alaninate

  • Molecular FormulaC21H30Cl2N2O5
  • Average mass461.379 Da
  • Monoisotopic mass460.153168 Da
  • ChemSpider ID118243371

More details:

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

Ethyl N-[(2,4-dichlorophenoxy)acetyl]isovalyl-N-propyl-β-alaninate [ACD/IUPAC Name]
Ethyl-N-[(2,4-dichlorphenoxy)acetyl]isovalyl-N-propyl-β-alaninat [German] [ACD/IUPAC Name]
N-[2-(2,4-Dichlorophénoxy)acétyl]isovalyl-N-propyl-β-alaninate d'éthyle [French] [ACD/IUPAC Name]
β-Alanine, N-[2-(2,4-dichlorophenoxy)acetyl]isovalyl-N-propyl-, ethyl ester [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: 620.6±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.8 mmHg at 25°C
Enthalpy of Vaporization: 92.0±3.0 kJ/mol
Flash Point: 329.1±31.5 °C
Index of Refraction: 1.523
Molar Refractivity: 116.7±0.3 cm3
#H bond acceptors: 7
#H bond donors: 1
#Freely Rotating Bonds: 13
#Rule of 5 Violations: 1
ACD/LogP: 5.11
ACD/LogD (pH 5.5): 4.31
ACD/BCF (pH 5.5): 1117.42
ACD/KOC (pH 5.5): 5290.69
ACD/LogD (pH 7.4): 4.31
ACD/BCF (pH 7.4): 1117.41
ACD/KOC (pH 7.4): 5290.65
Polar Surface Area: 85 Å2
Polarizability: 46.3±0.5 10-24cm3
Surface Tension: 42.5±3.0 dyne/cm
Molar Volume: 382.3±3.0 cm3

Click to predict properties on the Chemicalize site


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