ChemSpider 2D Image | {3-[3-(2-Methoxy-2-oxoethoxy)-1-propyn-1-yl]benzyl}phosphonic acid | C13H15O6P

{3-[3-(2-Methoxy-2-oxoethoxy)-1-propyn-1-yl]benzyl}phosphonic acid

  • Molecular FormulaC13H15O6P
  • Average mass298.228 Da
  • Monoisotopic mass298.060638 Da
  • ChemSpider ID92851884

More details:

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

{3-[3-(2-Methoxy-2-oxoethoxy)-1-propin-1-yl]benzyl}phosphonsäure [German] [ACD/IUPAC Name]
{3-[3-(2-Methoxy-2-oxoethoxy)-1-propyn-1-yl]benzyl}phosphonic acid [ACD/IUPAC Name]
Acetic acid, 2-[[3-[3-(phosphonomethyl)phenyl]-2-propyn-1-yl]oxy]-, methyl ester [ACD/Index Name]
Acide {3-[3-(2-méthoxy-2-oxoéthoxy)-1-propyn-1-yl]benzyl}phosphonique [French] [ACD/IUPAC Name]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 536.2±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.5 mmHg at 25°C
Enthalpy of Vaporization: 85.6±3.0 kJ/mol
Flash Point: 278.1±32.9 °C
Index of Refraction: 1.560
Molar Refractivity: 70.6±0.4 cm3
#H bond acceptors: 6
#H bond donors: 2
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 0
ACD/LogP: 1.13
ACD/LogD (pH 5.5): -2.66
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -3.16
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 103 Å2
Polarizability: 28.0±0.5 10-24cm3
Surface Tension: 61.5±5.0 dyne/cm
Molar Volume: 218.1±5.0 cm3

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