ChemSpider 2D Image | 2,3-Bis{[(1E)-1-hydroxy-1-dodecen-1-yl]oxy}propyl dihydrogen phosphate | C27H53O8P

2,3-Bis{[(1E)-1-hydroxy-1-dodecen-1-yl]oxy}propyl dihydrogen phosphate

  • Molecular FormulaC27H53O8P
  • Average mass536.679 Da
  • Monoisotopic mass536.347778 Da
  • ChemSpider ID95629700

More details:

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

1-Dodecen-1-ol, 1,1'-[[1-[(phosphonooxy)methyl]-1,2-ethanediyl]bis(oxy)]bis-, (1E,1'E)- [ACD/Index Name]
2,3-Bis{[(1E)-1-hydroxy-1-dodecen-1-yl]oxy}propyl dihydrogen phosphate [ACD/IUPAC Name]
2,3-Bis{[(1E)-1-hydroxy-1-dodecen-1-yl]oxy}propyldihydrogenphosphat [German] [ACD/IUPAC Name]
Dihydrogénophosphate de 2,3-bis{[(1E)-1-hydroxy-1-dodécén-1-yl]oxy}propyle [French] [ACD/IUPAC Name]

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

Density: 1.1±0.1 g/cm3
Boiling Point: 669.6±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±4.4 mmHg at 25°C
Enthalpy of Vaporization: 107.3±6.0 kJ/mol
Flash Point: 358.7±34.3 °C
Index of Refraction: 1.499
Molar Refractivity: 145.1±0.3 cm3
#H bond acceptors: 8
#H bond donors: 4
#Freely Rotating Bonds: 26
#Rule of 5 Violations: 2
ACD/LogP: 10.29
ACD/LogD (pH 5.5): 4.73
ACD/BCF (pH 5.5): 369.61
ACD/KOC (pH 5.5): 271.35
ACD/LogD (pH 7.4): 3.79
ACD/BCF (pH 7.4): 42.43
ACD/KOC (pH 7.4): 31.15
Polar Surface Area: 135 Å2
Polarizability: 57.5±0.5 10-24cm3
Surface Tension: 43.2±3.0 dyne/cm
Molar Volume: 494.7±3.0 cm3

Click to predict properties on the Chemicalize site


Advertisement