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Search term: 1620094-66-7 (Found by synonym)
ChemSpider 2D Image | Diethyl 4'-[4-(2-methyl-2-propanyl)phenyl]-2,2':6',2''-terpyridine-4,4''-dicarboxylate | C31H31N3O4

Diethyl 4'-[4-(2-methyl-2-propanyl)phenyl]-2,2':6',2''-terpyridine-4,4''-dicarboxylate

  • Molecular FormulaC31H31N3O4
  • Average mass509.595 Da
  • Monoisotopic mass509.231445 Da
  • ChemSpider ID35519137

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]-, diethyl ester [ACD/Index Name]
4'-[4-(2-Méthyl-2-propanyl)phényl]-2,2':6',2''-terpyridine-4,4''-dicarboxylate de diéthyle [French] [ACD/IUPAC Name]
Diethyl 4'-[4-(2-methyl-2-propanyl)phenyl]-2,2':6',2''-terpyridine-4,4''-dicarboxylate [ACD/IUPAC Name]
Diethyl-4'-[4-(2-methyl-2-propanyl)phenyl]-2,2':6',2''-terpyridin-4,4''-dicarboxylat [German] [ACD/IUPAC Name]
1620094-66-7 [RN]
Diethyl 4'-(4-tert.-butyllphenyl)-2,2':6',2''-terpyridine-4,4''-dicarboxylate

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

Density: 1.2±0.1 g/cm3
Boiling Point: 630.0±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.8 mmHg at 25°C
Enthalpy of Vaporization: 93.2±3.0 kJ/mol
Flash Point: 334.8±31.5 °C
Index of Refraction: 1.575
Molar Refractivity: 145.5±0.3 cm3
#H bond acceptors: 7
#H bond donors: 0
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 2
ACD/LogP: 7.63
ACD/LogD (pH 5.5): 6.56
ACD/BCF (pH 5.5): 56679.51
ACD/KOC (pH 5.5): 87918.52
ACD/LogD (pH 7.4): 6.56
ACD/BCF (pH 7.4): 56681.06
ACD/KOC (pH 7.4): 87920.93
Polar Surface Area: 91 Å2
Polarizability: 57.7±0.5 10-24cm3
Surface Tension: 46.0±3.0 dyne/cm
Molar Volume: 440.4±3.0 cm3

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