ChemSpider 2D Image | 4-Hydroxy-2-butyn-1-yl dihydrogen phosphate | C4H7O5P

4-Hydroxy-2-butyn-1-yl dihydrogen phosphate

  • Molecular FormulaC4H7O5P
  • Average mass166.069 Da
  • Monoisotopic mass166.003113 Da
  • ChemSpider ID60999779

More details:

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

2-Butyne-1,4-diol, mono(dihydrogen phosphate) [ACD/Index Name]
4-Hydroxy-2-butin-1-yldihydrogenphosphat [German] [ACD/IUPAC Name]
4-Hydroxy-2-butyn-1-yl dihydrogen phosphate [ACD/IUPAC Name]
Dihydrogénophosphate de 4-hydroxy-2-butyn-1-yle [French] [ACD/IUPAC Name]
60556-03-8 [RN]

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

Density: 1.6±0.1 g/cm3
Boiling Point: 417.5±51.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.2 mmHg at 25°C
Enthalpy of Vaporization: 77.5±6.0 kJ/mol
Flash Point: 206.3±30.4 °C
Index of Refraction: 1.543
Molar Refractivity: 31.8±0.3 cm3
#H bond acceptors: 5
#H bond donors: 3
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: -1.78
ACD/LogD (pH 5.5): -5.09
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -6.00
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 97 Å2
Polarizability: 12.6±0.5 10-24cm3
Surface Tension: 90.8±3.0 dyne/cm
Molar Volume: 100.9±3.0 cm3

Click to predict properties on the Chemicalize site


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