ChemSpider 2D Image | [3-(4-Cyano-1-butyn-1-yl)benzyl]phosphonic acid | C12H12NO3P

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

  • Molecular FormulaC12H12NO3P
  • Average mass249.202 Da
  • Monoisotopic mass249.055481 Da
  • ChemSpider ID95476084

More details:

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

[3-(4-Cyan-1-butin-1-yl)benzyl]phosphonsäure [German] [ACD/IUPAC Name]
[3-(4-Cyano-1-butyn-1-yl)benzyl]phosphonic acid [ACD/IUPAC Name]
Acide [3-(4-cyano-1-butyn-1-yl)benzyl]phosphonique [French] [ACD/IUPAC Name]
Phosphonic acid, [[3-(4-cyano-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: 1.3±0.1 g/cm3
Boiling Point: 549.6±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.6 mmHg at 25°C
Enthalpy of Vaporization: 87.3±3.0 kJ/mol
Flash Point: 286.2±32.9 °C
Index of Refraction: 1.584
Molar Refractivity: 62.3±0.4 cm3
#H bond acceptors: 4
#H bond donors: 2
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 0.30
ACD/LogD (pH 5.5): -2.97
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -3.47
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 91 Å2
Polarizability: 24.7±0.5 10-24cm3
Surface Tension: 67.7±5.0 dyne/cm
Molar Volume: 186.3±5.0 cm3

Click to predict properties on the Chemicalize site


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