ChemSpider 2D Image | Bis(2-cyanoethyl) benzoylphosphonate | C13H13N2O4P

Bis(2-cyanoethyl) benzoylphosphonate

  • Molecular FormulaC13H13N2O4P
  • Average mass292.227 Da
  • Monoisotopic mass292.061279 Da
  • ChemSpider ID35772846

More details:






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

Benzoylphosphonate de bis(2-cyanoéthyle) [French] [ACD/IUPAC Name]
Bis(2-cyanethyl)-benzoylphosphonat [German] [ACD/IUPAC Name]
Bis(2-cyanoethyl) benzoylphosphonate [ACD/IUPAC Name]
Phosphonic acid, P-benzoyl-, bis(2-cyanoethyl) ester [ACD/Index Name]
61244-79-9 [RN]
PHOSPHONIC ACID, BENZOYL-, BIS(2-CYANOETHYL) ESTER

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

Density: 1.3±0.1 g/cm3
Boiling Point: 492.2±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.2 mmHg at 25°C
Enthalpy of Vaporization: 75.9±3.0 kJ/mol
Flash Point: 251.5±31.5 °C
Index of Refraction: 1.525
Molar Refractivity: 69.6±0.3 cm3
#H bond acceptors: 6
#H bond donors: 0
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 0
ACD/LogP: -0.20
ACD/LogD (pH 5.5): 0.10
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 26.89
ACD/LogD (pH 7.4): 0.10
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 26.89
Polar Surface Area: 110 Å2
Polarizability: 27.6±0.5 10-24cm3
Surface Tension: 55.3±3.0 dyne/cm
Molar Volume: 227.1±3.0 cm3

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