ChemSpider 2D Image | Ethyl (2Z)-[(diphenylphosphoryl)imino](6-hydroxy-1,3-benzodioxol-5-yl)acetate | C23H20NO6P

Ethyl (2Z)-[(diphenylphosphoryl)imino](6-hydroxy-1,3-benzodioxol-5-yl)acetate

  • Molecular FormulaC23H20NO6P
  • Average mass437.382 Da
  • Monoisotopic mass437.102814 Da
  • ChemSpider ID30653232

  • Double-bond stereo - Double-bond stereo

More details:

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

(2Z)-[(Diphénylphosphoryl)imino](6-hydroxy-1,3-benzodioxol-5-yl)acétate d'éthyle [French] [ACD/IUPAC Name]
1,3-Benzodioxole-5-acetic acid, α-[(diphenylphosphinyl)imino]-6-hydroxy-, ethyl ester, (αZ)- [ACD/Index Name]
Ethyl (2Z)-[(diphenylphosphoryl)imino](6-hydroxy-1,3-benzodioxol-5-yl)acetate [ACD/IUPAC Name]
Ethyl-(2Z)-[(diphenylphosphoryl)imino](6-hydroxy-1,3-benzodioxol-5-yl)acetat [German] [ACD/IUPAC 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: 597.0±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.8 mmHg at 25°C
Enthalpy of Vaporization: 92.2±3.0 kJ/mol
Flash Point: 314.8±32.9 °C
Index of Refraction: 1.626
Molar Refractivity: 114.8±0.5 cm3
#H bond acceptors: 7
#H bond donors: 1
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 0
ACD/LogP: 4.16
ACD/LogD (pH 5.5): 3.73
ACD/BCF (pH 5.5): 398.13
ACD/KOC (pH 5.5): 2515.92
ACD/LogD (pH 7.4): 3.37
ACD/BCF (pH 7.4): 176.04
ACD/KOC (pH 7.4): 1112.44
Polar Surface Area: 104 Å2
Polarizability: 45.5±0.5 10-24cm3
Surface Tension: 54.9±7.0 dyne/cm
Molar Volume: 324.1±7.0 cm3

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