ChemSpider 2D Image | 4'-[4-(Octadecyloxy)phenyl]-2,2':6',2''-terpyridine | C39H51N3O

4'-[4-(Octadecyloxy)phenyl]-2,2':6',2''-terpyridine

  • Molecular FormulaC39H51N3O
  • Average mass577.842 Da
  • Monoisotopic mass577.403198 Da
  • ChemSpider ID21141720

More details:

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

2,2':6',2''-Terpyridine, 4'-[4-(octadecyloxy)phenyl]- [ACD/Index Name]
4'-[4-(Octadecyloxy)phenyl]-2,2':6',2''-terpyridin [German] [ACD/IUPAC Name]
4'-[4-(Octadecyloxy)phenyl]-2,2':6',2''-terpyridine [ACD/IUPAC Name]
4'-[4-(Octadécyloxy)phényl]-2,2':6',2''-terpyridine [French] [ACD/IUPAC 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: 676.3±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.0 mmHg at 25°C
Enthalpy of Vaporization: 95.7±3.0 kJ/mol
Flash Point: 230.0±21.8 °C
Index of Refraction: 1.544
Molar Refractivity: 179.7±0.3 cm3
#H bond acceptors: 4
#H bond donors: 0
#Freely Rotating Bonds: 21
#Rule of 5 Violations: 2
ACD/LogP: 13.41
ACD/LogD (pH 5.5): 12.30
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 10000000.00
ACD/LogD (pH 7.4): 12.35
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 10000000.00
Polar Surface Area: 48 Å2
Polarizability: 71.3±0.5 10-24cm3
Surface Tension: 41.2±3.0 dyne/cm
Molar Volume: 569.6±3.0 cm3

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