ChemSpider 2D Image | O-(4-Cyanophenyl) O-(~2~H_5_)ethyl phenylphosphonothioate | C15H9D5NO2PS

O-(4-Cyanophenyl) O-(2H5)ethyl phenylphosphonothioate

  • Molecular FormulaC15H9D5NO2PS
  • Average mass308.347 Da
  • Monoisotopic mass308.079681 Da
  • ChemSpider ID107437546

  • Non-standard isotope - Non-standard isotope

More details:

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

O-(4-Cyanophenyl) O-(2H5)ethyl phenylphosphonothioate [ACD/IUPAC Name]
O-(4-Cyanphenyl)-O-(2H5)ethyl-phenylphosphonothioat [German] [ACD/IUPAC Name]
Phénylphosphonothioate de O-(4-cyanophényle) et de O-(2H5)éthyle [French] [ACD/IUPAC Name]
Phosphonothioic acid, P-phenyl-, O-(4-cyanophenyl) O-ethyl-d5 ester [ACD/Index Name]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 423.7±47.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.0 mmHg at 25°C
Enthalpy of Vaporization: 67.8±3.0 kJ/mol
Flash Point: 210.0±29.3 °C
Index of Refraction: 1.606
Molar Refractivity: 82.5±0.4 cm3
#H bond acceptors: 3
#H bond donors: 0
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 4.29
ACD/LogD (pH 5.5): 4.09
ACD/BCF (pH 5.5): 755.10
ACD/KOC (pH 5.5): 3996.49
ACD/LogD (pH 7.4): 4.09
ACD/BCF (pH 7.4): 755.10
ACD/KOC (pH 7.4): 3996.49
Polar Surface Area: 84 Å2
Polarizability: 32.7±0.5 10-24cm3
Surface Tension: 57.5±5.0 dyne/cm
Molar Volume: 239.2±5.0 cm3

Click to predict properties on the Chemicalize site


Advertisement