ChemSpider 2D Image | 3-({3-[4-(Phosphonomethyl)phenyl]-2-propyn-1-yl}oxy)propanoic acid | C13H15O6P

3-({3-[4-(Phosphonomethyl)phenyl]-2-propyn-1-yl}oxy)propanoic acid

  • Molecular FormulaC13H15O6P
  • Average mass298.228 Da
  • Monoisotopic mass298.060638 Da
  • ChemSpider ID86832089

More details:

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

3-({3-[4-(Phosphonomethyl)phenyl]-2-propin-1-yl}oxy)propansäure [German] [ACD/IUPAC Name]
3-({3-[4-(Phosphonomethyl)phenyl]-2-propyn-1-yl}oxy)propanoic acid [ACD/IUPAC Name]
Acide 3-({3-[4-(phosphonométhyl)phényl]-2-propyn-1-yl}oxy)propanoïque [French] [ACD/IUPAC Name]
Propanoic acid, 3-[[3-[4-(phosphonomethyl)phenyl]-2-propyn-1-yl]oxy]- [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: 579.5±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.7 mmHg at 25°C
Enthalpy of Vaporization: 91.2±3.0 kJ/mol
Flash Point: 304.3±32.9 °C
Index of Refraction: 1.587
Molar Refractivity: 70.4±0.4 cm3
#H bond acceptors: 6
#H bond donors: 3
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 0
ACD/LogP: 0.61
ACD/LogD (pH 5.5): -4.15
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -4.77
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: 70.8±5.0 dyne/cm
Molar Volume: 209.4±5.0 cm3

Click to predict properties on the Chemicalize site


Advertisement