ChemSpider 2D Image | 2-Propyn-1-yl trihydrogen diphosphate | C3H6O7P2

2-Propyn-1-yl trihydrogen diphosphate

  • Molecular FormulaC3H6O7P2
  • Average mass216.023 Da
  • Monoisotopic mass215.958878 Da
  • ChemSpider ID31118288

More details:

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

2-Propin-1-yltrihydrogendiphosphat [German] [ACD/IUPAC Name]
2-Propyn-1-yl trihydrogen diphosphate [ACD/IUPAC Name]
Diphosphoric acid, mono(2-propyn-1-yl) ester [ACD/Index Name]
Prop-2-Yn-1-Yl Trihydrogen Diphosphate
Trihydrogénodiphosphate de 2-propyn-1-yle [French] [ACD/IUPAC Name]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.9±0.1 g/cm3
Boiling Point: 420.2±47.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.1 mmHg at 25°C
Enthalpy of Vaporization: 73.9±6.0 kJ/mol
Flash Point: 208.0±29.3 °C
Index of Refraction: 1.530
Molar Refractivity: 35.6±0.3 cm3
#H bond acceptors: 7
#H bond donors: 3
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: -2.46
ACD/LogD (pH 5.5): -7.46
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -8.16
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 133 Å2
Polarizability: 14.1±0.5 10-24cm3
Surface Tension: 99.4±3.0 dyne/cm
Molar Volume: 115.4±3.0 cm3

Click to predict properties on the Chemicalize site


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