ChemSpider 2D Image | 2-Nitroethyl hydrogen [3-methoxy-4-(octadecyloxy)butyl]phosphonate | C25H52NO7P

2-Nitroethyl hydrogen [3-methoxy-4-(octadecyloxy)butyl]phosphonate

  • Molecular FormulaC25H52NO7P
  • Average mass509.657 Da
  • Monoisotopic mass509.348145 Da
  • ChemSpider ID8589396

More details:

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

2-Nitroethyl hydrogen [3-methoxy-4-(octadecyloxy)butyl]phosphonate [ACD/IUPAC Name]
2-Nitroethyl-hydrogen[3-methoxy-4-(octadecyloxy)butyl]phosphonat [German] [ACD/IUPAC Name]
Hydrogéno[3-méthoxy-4-(octadécyloxy)butyl]phosphonate de 2-nitroéthyle [French] [ACD/IUPAC Name]
Phosphonic acid, P-[3-methoxy-4-(octadecyloxy)butyl]-, mono(2-nitroethyl) ester [ACD/Index Name]

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

Density: 1.0±0.1 g/cm3
Boiling Point: 604.8±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.7 mmHg at 25°C
Enthalpy of Vaporization: 98.2±6.0 kJ/mol
Flash Point: 319.6±34.3 °C
Index of Refraction: 1.467
Molar Refractivity: 137.5±0.3 cm3
#H bond acceptors: 8
#H bond donors: 1
#Freely Rotating Bonds: 27
#Rule of 5 Violations: 2
ACD/LogP: 7.79
ACD/LogD (pH 5.5): 4.32
ACD/BCF (pH 5.5): 221.77
ACD/KOC (pH 5.5): 243.02
ACD/LogD (pH 7.4): 3.70
ACD/BCF (pH 7.4): 53.18
ACD/KOC (pH 7.4): 58.28
Polar Surface Area: 121 Å2
Polarizability: 54.5±0.5 10-24cm3
Surface Tension: 38.2±3.0 dyne/cm
Molar Volume: 495.1±3.0 cm3

Click to predict properties on the Chemicalize site


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