ChemSpider 2D Image | 4,4''-Bis(2-methyl-2-propanyl)-2',5'-bis(phenylethynyl)-1,1':4',1''-terphenyl | C42H38

4,4''-Bis(2-methyl-2-propanyl)-2',5'-bis(phenylethynyl)-1,1':4',1''-terphenyl

  • Molecular FormulaC42H38
  • Average mass542.751 Da
  • Monoisotopic mass542.297363 Da
  • ChemSpider ID29211591

More details:

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

4,4''-Bis(2-methyl-2-propanyl)-2',5'-bis(phenylethinyl)-1,1':4',1''-terphenyl [German] [ACD/IUPAC Name]
4,4''-Bis(2-methyl-2-propanyl)-2',5'-bis(phenylethynyl)-1,1':4',1''-terphenyl [ACD/IUPAC Name]
4,4''-Bis(2-méthyl-2-propanyl)-2',5'-bis(phényléthynyl)-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- [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: 690.1±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.0 mmHg at 25°C
Enthalpy of Vaporization: 97.5±0.8 kJ/mol
Flash Point: 378.8±25.6 °C
Index of Refraction: 1.648
Molar Refractivity: 177.2±0.4 cm3
#H bond acceptors: 0
#H bond donors: 0
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 2
ACD/LogP: 14.13
ACD/LogD (pH 5.5): 12.34
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 10000000.00
ACD/LogD (pH 7.4): 12.34
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 10000000.00
Polar Surface Area: 0 Å2
Polarizability: 70.2±0.5 10-24cm3
Surface Tension: 53.8±5.0 dyne/cm
Molar Volume: 486.7±5.0 cm3

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