ChemSpider 2D Image | 2-Methyl-2-propanyl 3-phenyl(3-~2~H_1_)propanoate | C13H17DO2

2-Methyl-2-propanyl 3-phenyl(3-2H1)propanoate

  • Molecular FormulaC13H17DO2
  • Average mass207.287 Da
  • Monoisotopic mass207.136963 Da
  • ChemSpider ID74798204

  • Non-standard isotope - Non-standard isotope

More details:

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

2-Methyl-2-propanyl 3-phenyl(3-2H1)propanoate [ACD/IUPAC Name]
2-Methyl-2-propanyl-3-phenyl(3-2H1)propanoat [German] [ACD/IUPAC Name]
3-Phényl(3-2H1)propanoate de 2-méthyl-2-propanyle [French] [ACD/IUPAC Name]
Benzenepropanoic-β-d acid, 1,1-dimethylethyl ester [ACD/Index Name]

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

Density: 1.0±0.1 g/cm3
Boiling Point: 271.1±9.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 50.9±3.0 kJ/mol
Flash Point: 100.7±17.1 °C
Index of Refraction: 1.495
Molar Refractivity: 60.7±0.3 cm3
#H bond acceptors: 2
#H bond donors: 0
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 3.49
ACD/LogD (pH 5.5): 3.63
ACD/BCF (pH 5.5): 338.20
ACD/KOC (pH 5.5): 2249.00
ACD/LogD (pH 7.4): 3.63
ACD/BCF (pH 7.4): 338.20
ACD/KOC (pH 7.4): 2249.00
Polar Surface Area: 26 Å2
Polarizability: 24.1±0.5 10-24cm3
Surface Tension: 33.9±3.0 dyne/cm
Molar Volume: 208.3±3.0 cm3

Click to predict properties on the Chemicalize site


Advertisement