ChemSpider 2D Image | 3-(2-Pentanyl)phenyl (~2~H_3_)methylcarbamate | C13H16D3NO2

3-(2-Pentanyl)phenyl (2H3)methylcarbamate

  • Molecular FormulaC13H16D3NO2
  • Average mass224.314 Da
  • Monoisotopic mass224.160416 Da
  • ChemSpider ID58782086

  • Non-standard isotope - Non-standard isotope

More details:

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

3-(2-Pentanyl)phenyl (2H3)methylcarbamate [ACD/IUPAC Name]
3-(2-Pentanyl)phenyl-(2H3)methylcarbamat [German] [ACD/IUPAC Name]
Carbamic acid, N-methyl-d3-, 3-(1-methylbutyl)phenyl 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: 296.1±23.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 53.6±3.0 kJ/mol
Flash Point: 132.9±22.6 °C
Index of Refraction: 1.502
Molar Refractivity: 64.6±0.3 cm3
#H bond acceptors: 3
#H bond donors: 1
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 3.57
ACD/LogD (pH 5.5): 3.24
ACD/BCF (pH 5.5): 171.34
ACD/KOC (pH 5.5): 1382.28
ACD/LogD (pH 7.4): 3.24
ACD/BCF (pH 7.4): 171.33
ACD/KOC (pH 7.4): 1382.26
Polar Surface Area: 38 Å2
Polarizability: 25.6±0.5 10-24cm3
Surface Tension: 34.7±3.0 dyne/cm
Molar Volume: 219.0±3.0 cm3

Click to predict properties on the Chemicalize site


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