ChemSpider 2D Image | 4,4''-Bis(2-methyl-2-propanyl)-2',5'-bis{[4-(2-methyl-2-propanyl)phenyl]ethynyl}-1,1':4',1''-terphenyl | C50H54

4,4''-Bis(2-methyl-2-propanyl)-2',5'-bis{[4-(2-methyl-2-propanyl)phenyl]ethynyl}-1,1':4',1''-terphenyl

  • Molecular FormulaC50H54
  • Average mass654.964 Da
  • Monoisotopic mass654.422546 Da
  • ChemSpider ID29211589

More details:

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

4,4''-Bis(2-methyl-2-propanyl)-2',5'-bis{[4-(2-methyl-2-propanyl)phenyl]ethinyl}-1,1':4',1''-terphenyl [German] [ACD/IUPAC Name]
4,4''-Bis(2-methyl-2-propanyl)-2',5'-bis{[4-(2-methyl-2-propanyl)phenyl]ethynyl}-1,1':4',1''-terphenyl [ACD/IUPAC Name]
4,4''-Bis(2-méthyl-2-propanyl)-2',5'-bis{[4-(2-méthyl-2-propanyl)phényl]éthynyl}-1,1':4',1''-terphényl [French] [ACD/IUPAC Name]
Benzene, 1,1'-[[4,4''-bis(1,1-dimethylethyl)[1,1':4',1''-terphenyl]-2',5'-diyl]di-2,1-ethynediyl]bis[4-(1,1-dimethylethyl)- [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: 741.0±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.2 mmHg at 25°C
Enthalpy of Vaporization: 104.3±0.8 kJ/mol
Flash Point: 414.1±27.0 °C
Index of Refraction: 1.614
Molar Refractivity: 214.2±0.4 cm3
#H bond acceptors: 0
#H bond donors: 0
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 2
ACD/LogP: 17.51
ACD/LogD (pH 5.5): 15.43
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 10000000.00
ACD/LogD (pH 7.4): 15.43
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 10000000.00
Polar Surface Area: 0 Å2
Polarizability: 84.9±0.5 10-24cm3
Surface Tension: 49.1±5.0 dyne/cm
Molar Volume: 614.8±5.0 cm3

Click to predict properties on the Chemicalize site


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