ChemSpider 2D Image | Ethyl 2-phenoxybenzyl heptylphosphonate | C22H31O4P

Ethyl 2-phenoxybenzyl heptylphosphonate

  • Molecular FormulaC22H31O4P
  • Average mass390.453 Da
  • Monoisotopic mass390.195984 Da
  • ChemSpider ID23283158

More details:

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

Ethyl 2-phenoxybenzyl heptylphosphonate [ACD/IUPAC Name]
Ethyl-2-phenoxybenzyl-heptylphosphonat [German] [ACD/IUPAC Name]
Heptylphosphonate d'éthyle et de 2-phénoxybenzyle [French] [ACD/IUPAC Name]
Phosphonic acid, P-heptyl-, ethyl (2-phenoxyphenyl)methyl ester [ACD/Index Name]
CHEMBL227405

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

Density: 1.1±0.1 g/cm3
Boiling Point: 488.4±38.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.2 mmHg at 25°C
Enthalpy of Vaporization: 72.6±3.0 kJ/mol
Flash Point: 262.3±47.1 °C
Index of Refraction: 1.518
Molar Refractivity: 109.7±0.3 cm3
#H bond acceptors: 4
#H bond donors: 0
#Freely Rotating Bonds: 13
#Rule of 5 Violations: 1
ACD/LogP: 6.71
ACD/LogD (pH 5.5): 6.46
ACD/BCF (pH 5.5): 48172.04
ACD/KOC (pH 5.5): 78257.69
ACD/LogD (pH 7.4): 6.46
ACD/BCF (pH 7.4): 48172.04
ACD/KOC (pH 7.4): 78257.69
Polar Surface Area: 55 Å2
Polarizability: 43.5±0.5 10-24cm3
Surface Tension: 39.1±3.0 dyne/cm
Molar Volume: 361.8±3.0 cm3

Click to predict properties on the Chemicalize site


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