ChemSpider 2D Image | 2-(2-Cyanophenoxy)-5-Hexylphenol | C19H21NO2

2-(2-Cyanophenoxy)-5-Hexylphenol

  • Molecular FormulaC19H21NO2
  • Average mass295.375 Da
  • Monoisotopic mass295.157227 Da
  • ChemSpider ID34950051

More details:

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

2-(2-Cyanophenoxy)-5-Hexylphenol
2-(4-Hexyl-2-hydroxyphenoxy)benzonitril [German] [ACD/IUPAC Name]
2-(4-Hexyl-2-hydroxyphenoxy)benzonitrile [ACD/IUPAC Name]
2-(4-Hexyl-2-hydroxyphénoxy)benzonitrile [French] [ACD/IUPAC Name]
Benzonitrile, 2-(4-hexyl-2-hydroxyphenoxy)- [ACD/Index Name]
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL3360252/
JUS
PT119

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

Density: 1.1±0.1 g/cm3
Boiling Point: 421.0±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.0 mmHg at 25°C
Enthalpy of Vaporization: 70.1±3.0 kJ/mol
Flash Point: 208.4±28.7 °C
Index of Refraction: 1.582
Molar Refractivity: 87.1±0.4 cm3
#H bond acceptors: 3
#H bond donors: 1
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 1
ACD/LogP: 6.11
ACD/LogD (pH 5.5): 5.47
ACD/BCF (pH 5.5): 8536.28
ACD/KOC (pH 5.5): 22676.13
ACD/LogD (pH 7.4): 5.47
ACD/BCF (pH 7.4): 8412.40
ACD/KOC (pH 7.4): 22347.05
Polar Surface Area: 53 Å2
Polarizability: 34.5±0.5 10-24cm3
Surface Tension: 51.7±5.0 dyne/cm
Molar Volume: 260.8±5.0 cm3

Click to predict properties on the Chemicalize site


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