ChemSpider 2D Image | 2-Methyl-2-propanyl 3-(2-methyl-3-pyridinyl)propanoate | C13H19NO2

2-Methyl-2-propanyl 3-(2-methyl-3-pyridinyl)propanoate

  • Molecular FormulaC13H19NO2
  • Average mass221.296 Da
  • Monoisotopic mass221.141586 Da
  • ChemSpider ID58801364

More details:






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

2-Methyl-2-propanyl 3-(2-methyl-3-pyridinyl)propanoate [ACD/IUPAC Name]
2-Methyl-2-propanyl-3-(2-methyl-3-pyridinyl)propanoat [German] [ACD/IUPAC Name]
3-(2-Méthyl-3-pyridinyl)propanoate de 2-méthyl-2-propanyle [French] [ACD/IUPAC Name]
3-Pyridinepropanoic acid, 2-methyl-, 1,1-dimethylethyl ester [ACD/Index Name]
2007908-47-4 [RN]
C13H19NO2
MFCD30472047
t-Butyl 3-(2-methylpyridin-3-yl)propanoate
tert-Butyl 3-(2-methylpyridin-3-yl)propanoate

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

Density: 1.0±0.1 g/cm3
Boiling Point: 303.8±27.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 54.4±3.0 kJ/mol
Flash Point: 137.5±23.7 °C
Index of Refraction: 1.496
Molar Refractivity: 63.6±0.3 cm3
#H bond acceptors: 3
#H bond donors: 0
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 2.45
ACD/LogD (pH 5.5): 2.23
ACD/BCF (pH 5.5): 21.01
ACD/KOC (pH 5.5): 209.65
ACD/LogD (pH 7.4): 2.80
ACD/BCF (pH 7.4): 78.27
ACD/KOC (pH 7.4): 780.97
Polar Surface Area: 39 Å2
Polarizability: 25.2±0.5 10-24cm3
Surface Tension: 36.2±3.0 dyne/cm
Molar Volume: 217.8±3.0 cm3

Click to predict properties on the Chemicalize site






Advertisement