ChemSpider 2D Image | Diisopropyl {(3E)-3-[ethoxy(hydroxy)methylene]-4-oxo-2-pentanyl}phosphonate | C14H27O6P

Diisopropyl {(3E)-3-[ethoxy(hydroxy)methylene]-4-oxo-2-pentanyl}phosphonate

  • Molecular FormulaC14H27O6P
  • Average mass322.334 Da
  • Monoisotopic mass322.154510 Da
  • ChemSpider ID95578181

More details:

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

{(3E)-3-[Éthoxy(hydroxy)méthylène]-4-oxo-2-pentanyl}phosphonate de diisopropyle [French] [ACD/IUPAC Name]
Diisopropyl {(3E)-3-[ethoxy(hydroxy)methylene]-4-oxo-2-pentanyl}phosphonate [ACD/IUPAC Name]
Diisopropyl-{(3E)-3-[ethoxy(hydroxy)methylen]-4-oxo-2-pentanyl}phosphonat [German] [ACD/IUPAC Name]
Phosphonic acid, P-[(2E)-2-(ethoxyhydroxymethylene)-1-methyl-3-oxobutyl]-, bis(1-methylethyl) ester [ACD/Index Name]

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

Density: 1.1±0.1 g/cm3
Boiling Point: 439.0±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.4 mmHg at 25°C
Enthalpy of Vaporization: 80.3±6.0 kJ/mol
Flash Point: 219.3±28.7 °C
Index of Refraction: 1.462
Molar Refractivity: 80.2±0.3 cm3
#H bond acceptors: 6
#H bond donors: 1
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 0
ACD/LogP: 2.92
ACD/LogD (pH 5.5): 2.05
ACD/BCF (pH 5.5): 21.30
ACD/KOC (pH 5.5): 310.68
ACD/LogD (pH 7.4): 2.01
ACD/BCF (pH 7.4): 19.45
ACD/KOC (pH 7.4): 283.73
Polar Surface Area: 92 Å2
Polarizability: 31.8±0.5 10-24cm3
Surface Tension: 35.8±3.0 dyne/cm
Molar Volume: 291.8±3.0 cm3

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