ChemSpider 2D Image | [4-(4-Ethoxy-3-hydroxy-4-oxo-1-butyn-1-yl)benzyl]phosphonic acid | C13H15O6P

[4-(4-Ethoxy-3-hydroxy-4-oxo-1-butyn-1-yl)benzyl]phosphonic acid

  • Molecular FormulaC13H15O6P
  • Average mass298.228 Da
  • Monoisotopic mass298.060638 Da
  • ChemSpider ID96593658

More details:

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

[4-(4-Ethoxy-3-hydroxy-4-oxo-1-butin-1-yl)benzyl]phosphonsäure [German] [ACD/IUPAC Name]
[4-(4-Ethoxy-3-hydroxy-4-oxo-1-butyn-1-yl)benzyl]phosphonic acid [ACD/IUPAC Name]
3-Butynoic acid, 2-hydroxy-4-[4-(phosphonomethyl)phenyl]-, 1-ethyl ester [ACD/Index Name]
Acide [4-(4-éthoxy-3-hydroxy-4-oxo-1-butyn-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: 540.1±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.5 mmHg at 25°C
Enthalpy of Vaporization: 86.1±3.0 kJ/mol
Flash Point: 280.5±32.9 °C
Index of Refraction: 1.585
Molar Refractivity: 70.4±0.4 cm3
#H bond acceptors: 6
#H bond donors: 3
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 0
ACD/LogP: 1.07
ACD/LogD (pH 5.5): -2.93
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -3.43
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 114 Å2
Polarizability: 27.9±0.5 10-24cm3
Surface Tension: 69.1±5.0 dyne/cm
Molar Volume: 210.0±5.0 cm3

Click to predict properties on the Chemicalize site


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