ChemSpider 2D Image | 1,3-bis(4-fluorophenyl)-5-propyl-1,3,5-triazinane | C18H21F2N3

1,3-bis(4-fluorophenyl)-5-propyl-1,3,5-triazinane

  • Molecular FormulaC18H21F2N3
  • Average mass317.376 Da
  • Monoisotopic mass317.170349 Da
  • ChemSpider ID21127232

More details:

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

1,3-Bis(4-fluorophényl)-5-propyl-1,3,5-triazinane [French] [ACD/IUPAC Name]
1,3-Bis(4-fluorphenyl)-5-propyl-1,3,5-triazinan [German] [ACD/IUPAC Name]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 447.3±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.1 mmHg at 25°C
Enthalpy of Vaporization: 70.6±3.0 kJ/mol
Flash Point: 224.3±28.7 °C
Index of Refraction: 1.559
Molar Refractivity: 87.4±0.3 cm3
#H bond acceptors: 3
#H bond donors: 0
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 3.39
ACD/LogD (pH 5.5): 2.65
ACD/BCF (pH 5.5): 44.85
ACD/KOC (pH 5.5): 366.72
ACD/LogD (pH 7.4): 3.20
ACD/BCF (pH 7.4): 158.20
ACD/KOC (pH 7.4): 1293.46
Polar Surface Area: 10 Å2
Polarizability: 34.6±0.5 10-24cm3
Surface Tension: 40.4±3.0 dyne/cm
Molar Volume: 270.5±3.0 cm3

Click to predict properties on the Chemicalize site


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