ChemSpider 2D Image | 2-((3'-TERTBUTYL-4'-HYDROXYPHENYL)AZO)BENZOIC ACID | C17H18N2O3

2-((3'-TERTBUTYL-4'-HYDROXYPHENYL)AZO)BENZOIC ACID

  • Molecular FormulaC17H18N2O3
  • Average mass298.336 Da
  • Monoisotopic mass298.131744 Da
  • ChemSpider ID22377715
  • Double-bond stereo - Double-bond stereo


More details:






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

2-((3'-TERTBUTYL-4'-HYDROXYPHENYL)AZO)BENZOIC ACID
2-{(E)-[4-Hydroxy-3-(2-methyl-2-propanyl)phenyl]diazenyl}benzoesäure [German] [ACD/IUPAC Name]
2-{(E)-[4-Hydroxy-3-(2-methyl-2-propanyl)phenyl]diazenyl}benzoic acid [ACD/IUPAC Name]
Acide 2-{(E)-[4-hydroxy-3-(2-méthyl-2-propanyl)phényl]diazényl}benzoïque [French] [ACD/IUPAC Name]
Benzoic acid, 2-[(E)-2-[3-(1,1-dimethylethyl)-4-hydroxyphenyl]diazenyl]- [ACD/Index Name]
2-[(E)-2-(3-tert-butyl-4-hydroxyphenyl)diazen-1-yl]benzoic acid
MTB

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.2±0.1 g/cm3
Boiling Point: 499.7±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.3 mmHg at 25°C
Enthalpy of Vaporization: 80.9±3.0 kJ/mol
Flash Point: 256.0±28.7 °C
Index of Refraction: 1.581
Molar Refractivity: 84.4±0.5 cm3
#H bond acceptors: 5
#H bond donors: 2
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 1
ACD/LogP: 5.41
ACD/LogD (pH 5.5): 3.42
ACD/BCF (pH 5.5): 92.33
ACD/KOC (pH 5.5): 293.13
ACD/LogD (pH 7.4): 2.10
ACD/BCF (pH 7.4): 4.37
ACD/KOC (pH 7.4): 13.88
Polar Surface Area: 82 Å2
Polarizability: 33.5±0.5 10-24cm3
Surface Tension: 43.4±7.0 dyne/cm
Molar Volume: 253.3±7.0 cm3

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