ChemSpider 2D Image | Ethyl [1-(~2~H_3_)methyl-5-(4-methylbenzoyl)-2-pyrrolidinyl]acetate | C17H20D3NO3

Ethyl [1-(2H3)methyl-5-(4-methylbenzoyl)-2-pyrrolidinyl]acetate

  • Molecular FormulaC17H20D3NO3
  • Average mass292.388 Da
  • Monoisotopic mass292.186615 Da
  • ChemSpider ID113531519

  • Non-standard isotope - Non-standard isotope

More details:

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

[1-(2H3)Méthyl-5-(4-méthylbenzoyl)-2-pyrrolidinyl]acétate d'éthyle [French] [ACD/IUPAC Name]
2-Pyrrolidineacetic acid, 1-(methyl-d3)-5-(4-methylbenzoyl)-, ethyl ester [ACD/Index Name]
Ethyl [1-(2H3)methyl-5-(4-methylbenzoyl)-2-pyrrolidinyl]acetate [ACD/IUPAC Name]
Ethyl-[1-(2H3)methyl-5-(4-methylbenzoyl)-2-pyrrolidinyl]acetat [German] [ACD/IUPAC Name]

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

Density: 1.1±0.1 g/cm3
Boiling Point: 393.6±32.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.9 mmHg at 25°C
Enthalpy of Vaporization: 64.4±3.0 kJ/mol
Flash Point: 191.9±25.1 °C
Index of Refraction: 1.523
Molar Refractivity: 81.6±0.3 cm3
#H bond acceptors: 4
#H bond donors: 0
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 2.72
ACD/LogD (pH 5.5): 0.74
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 7.15
ACD/LogD (pH 7.4): 2.38
ACD/BCF (pH 7.4): 30.46
ACD/KOC (pH 7.4): 311.29
Polar Surface Area: 47 Å2
Polarizability: 32.3±0.5 10-24cm3
Surface Tension: 38.6±3.0 dyne/cm
Molar Volume: 267.1±3.0 cm3

Click to predict properties on the Chemicalize site


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