ChemSpider 2D Image | 5-Hexyl-2-(2-nitrophenoxy)phenol | C18H21NO4

5-Hexyl-2-(2-nitrophenoxy)phenol

  • Molecular FormulaC18H21NO4
  • Average mass315.364 Da
  • Monoisotopic mass315.147064 Da
  • ChemSpider ID23316869

More details:

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

5-Hexyl-2-(2-nitrophenoxy)phenol [ACD/IUPAC Name]
5-Hexyl-2-(2-nitrophenoxy)phenol [German] [ACD/IUPAC Name]
5-Hexyl-2-(2-nitrophénoxy)phénol [French] [ACD/IUPAC Name]
Phenol, 5-hexyl-2-(2-nitrophenoxy)- [ACD/Index Name]
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL264415/

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

Density: 1.2±0.1 g/cm3
Boiling Point: 422.0±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.0 mmHg at 25°C
Enthalpy of Vaporization: 70.2±3.0 kJ/mol
Flash Point: 209.0±28.7 °C
Index of Refraction: 1.577
Molar Refractivity: 89.2±0.3 cm3
#H bond acceptors: 5
#H bond donors: 1
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 1
ACD/LogP: 5.78
ACD/LogD (pH 5.5): 5.29
ACD/BCF (pH 5.5): 6219.58
ACD/KOC (pH 5.5): 18077.54
ACD/LogD (pH 7.4): 5.29
ACD/BCF (pH 7.4): 6117.04
ACD/KOC (pH 7.4): 17779.53
Polar Surface Area: 75 Å2
Polarizability: 35.4±0.5 10-24cm3
Surface Tension: 47.0±3.0 dyne/cm
Molar Volume: 269.1±3.0 cm3

Click to predict properties on the Chemicalize site


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