ChemSpider 2D Image | 4'-[4-(2-Methyl-2-propanyl)phenyl]-2,2':6',2''-terpyridine-4,4''-dicarboxylic acid | C27H23N3O4

4'-[4-(2-Methyl-2-propanyl)phenyl]-2,2':6',2''-terpyridine-4,4''-dicarboxylic acid

  • Molecular FormulaC27H23N3O4
  • Average mass453.489 Da
  • Monoisotopic mass453.168854 Da
  • ChemSpider ID35518999

More details:

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

[2,2':6',2''-Terpyridine]-4,4''-dicarboxylic acid, 4'-[4-(1,1-dimethylethyl)phenyl]- [ACD/Index Name]
4'-[4-(2-Methyl-2-propanyl)phenyl]-2,2':6',2''-terpyridin-4,4''-dicarbonsäure [German] [ACD/IUPAC Name]
4'-[4-(2-Methyl-2-propanyl)phenyl]-2,2':6',2''-terpyridine-4,4''-dicarboxylic acid [ACD/IUPAC Name]
Acide 4'-[4-(2-méthyl-2-propanyl)phényl]-2,2':6',2''-terpyridine-4,4''-dicarboxylique [French] [ACD/IUPAC Name]
1227296-43-6 [RN]
4'-(4-(tert-butyl)phenyl)-[2,2':6',2''-terpyridine]-4,4''-dicarboxylic acid
4'-(4-tert.-butylphenyl)-2,2':6',2''-terpyridine-4,4''-dicarboxylic acid

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

Density: 1.3±0.1 g/cm3
Boiling Point: 755.1±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.7 mmHg at 25°C
Enthalpy of Vaporization: 115.4±3.0 kJ/mol
Flash Point: 410.5±32.9 °C
Index of Refraction: 1.628
Molar Refractivity: 126.6±0.3 cm3
#H bond acceptors: 7
#H bond donors: 2
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 1
ACD/LogP: 6.25
ACD/LogD (pH 5.5): 2.67
ACD/BCF (pH 5.5): 11.02
ACD/KOC (pH 5.5): 24.33
ACD/LogD (pH 7.4): 1.70
ACD/BCF (pH 7.4): 1.17
ACD/KOC (pH 7.4): 2.60
Polar Surface Area: 113 Å2
Polarizability: 50.2±0.5 10-24cm3
Surface Tension: 57.5±3.0 dyne/cm
Molar Volume: 356.7±3.0 cm3

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