ChemSpider 2D Image | [4-(3-Oxo-1-butyn-1-yl)benzyl]phosphonic acid | C11H11O4P

[4-(3-Oxo-1-butyn-1-yl)benzyl]phosphonic acid

  • Molecular FormulaC11H11O4P
  • Average mass238.176 Da
  • Monoisotopic mass238.039490 Da
  • ChemSpider ID81810015

More details:

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

[4-(3-Oxo-1-butin-1-yl)benzyl]phosphonsäure [German] [ACD/IUPAC Name]
[4-(3-Oxo-1-butyn-1-yl)benzyl]phosphonic acid [ACD/IUPAC Name]
Acide [4-(3-oxo-1-butyn-1-yl)benzyl]phosphonique [French] [ACD/IUPAC Name]
Phosphonic acid, [[4-(3-oxo-1-butyn-1-yl)phenyl]methyl]- [ACD/Index 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: 490.3±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.3 mmHg at 25°C
Enthalpy of Vaporization: 79.7±3.0 kJ/mol
Flash Point: 250.3±31.5 °C
Index of Refraction: 1.582
Molar Refractivity: 57.8±0.4 cm3
#H bond acceptors: 4
#H bond donors: 2
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 0.28
ACD/LogD (pH 5.5): -3.17
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -3.67
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 84 Å2
Polarizability: 22.9±0.5 10-24cm3
Surface Tension: 64.0±5.0 dyne/cm
Molar Volume: 173.2±5.0 cm3

Click to predict properties on the Chemicalize site


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