JWH-210 C26H27NO structure

Flashcard maker : Lily Taylor

Molecular Formula C26H27NO
Average mass 369.499 Da
Density 1.1±0.1 g/cm3
Boiling Point 558.7±33.0 °C at 760 mmHg
Flash Point 291.7±25.4 °C
Molar Refractivity 116.6±0.5 cm3
Polarizability 46.2±0.5 10-24cm3
Surface Tension 40.1±7.0 dyne/cm
Molar Volume 343.2±7.0 cm3
  • Experimental data
  • Predicted – ACD/Labs
  • Predicted – ChemAxon
  • Experimental Physico-chemical Properties
    • Experimental Melting Point:

      88-90 °C LabNetwork LN01300806
  • Gas Chromatography
    • Retention Index (Kovats):

      3202 (estimated with error: 89) NIST Spectra mainlib_378803

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

Density: 1.1±0.1 g/cm3
Boiling Point: 558.7±33.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.5 mmHg at 25°C
Enthalpy of Vaporization: 84.1±3.0 kJ/mol
Flash Point: 291.7±25.4 °C
Index of Refraction: 1.595
Molar Refractivity: 116.6±0.5 cm3
#H bond acceptors: 2
#H bond donors: 0
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 1
ACD/LogP: 7.85
ACD/LogD (pH 5.5): 7.55
ACD/BCF (pH 5.5): 321454.59
ACD/KOC (pH 5.5): 304487.59
ACD/LogD (pH 7.4): 7.55
ACD/BCF (pH 7.4): 321454.59
ACD/KOC (pH 7.4): 304487.59
Polar Surface Area: 22 Å2
Polarizability: 46.2±0.5 10-24cm3
Surface Tension: 40.1±7.0 dyne/cm
Molar Volume: 343.2±7.0 cm3

Click to predict properties on the Chemicalize site

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