ChemSpider 2D Image | 4,4''-Dinonyl-2',5'-bis(phenylethynyl)-1,1':4',1''-terphenyl | C52H58

4,4''-Dinonyl-2',5'-bis(phenylethynyl)-1,1':4',1''-terphenyl

  • Molecular FormulaC52H58
  • Average mass683.017 Da
  • Monoisotopic mass682.453857 Da
  • ChemSpider ID29211588

More details:

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

4,4''-Dinonyl-2',5'-bis(phenylethinyl)-1,1':4',1''-terphenyl [German] [ACD/IUPAC Name]
4,4''-Dinonyl-2',5'-bis(phenylethynyl)-1,1':4',1''-terphenyl [ACD/IUPAC Name]
4,4''-Dinonyl-2',5'-bis(phényléthynyl)-1,1':4',1''-terphényl [French] [ACD/IUPAC Name]
Benzene, 1,1'-[(4,4''-dinonyl[1,1':4',1''-terphenyl]-2',5'-diyl)di-2,1-ethynediyl]bis- [ACD/Index 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: 799.8±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.4 mmHg at 25°C
Enthalpy of Vaporization: 112.3±0.8 kJ/mol
Flash Point: 450.7±27.0 °C
Index of Refraction: 1.608
Molar Refractivity: 223.5±0.4 cm3
#H bond acceptors: 0
#H bond donors: 0
#Freely Rotating Bonds: 22
#Rule of 5 Violations: 2
ACD/LogP: 20.18
ACD/LogD (pH 5.5): 18.63
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 10000000.00
ACD/LogD (pH 7.4): 18.63
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 10000000.00
Polar Surface Area: 0 Å2
Polarizability: 88.6±0.5 10-24cm3
Surface Tension: 51.0±5.0 dyne/cm
Molar Volume: 646.0±5.0 cm3

Click to predict properties on the Chemicalize site


Advertisement