ChemSpider 2D Image | 2-[2,4-Bis(2-phenylethoxy)benzyl]hexanoic acid | C29H34O4

2-[2,4-Bis(2-phenylethoxy)benzyl]hexanoic acid

  • Molecular FormulaC29H34O4
  • Average mass446.578 Da
  • Monoisotopic mass446.245697 Da
  • ChemSpider ID26609397

More details:

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

2-[2,4-Bis(2-phenylethoxy)benzyl]hexanoic acid [ACD/IUPAC Name]
2-[2,4-Bis(2-phenylethoxy)benzyl]hexansäure [German] [ACD/IUPAC Name]
Acide 2-[2,4-bis(2-phényléthoxy)benzyl]hexanoïque [French] [ACD/IUPAC Name]
Benzenepropanoic acid, α-butyl-2,4-bis(2-phenylethoxy)- [ACD/Index Name]

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

Density: 1.1±0.1 g/cm3
Boiling Point: 622.2±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.9 mmHg at 25°C
Enthalpy of Vaporization: 96.9±3.0 kJ/mol
Flash Point: 202.6±25.0 °C
Index of Refraction: 1.571
Molar Refractivity: 132.1±0.3 cm3
#H bond acceptors: 4
#H bond donors: 1
#Freely Rotating Bonds: 14
#Rule of 5 Violations: 1
ACD/LogP: 7.25
ACD/LogD (pH 5.5): 6.01
ACD/BCF (pH 5.5): 14253.03
ACD/KOC (pH 5.5): 19842.39
ACD/LogD (pH 7.4): 4.22
ACD/BCF (pH 7.4): 230.60
ACD/KOC (pH 7.4): 321.03
Polar Surface Area: 56 Å2
Polarizability: 52.4±0.5 10-24cm3
Surface Tension: 44.6±3.0 dyne/cm
Molar Volume: 402.2±3.0 cm3

Click to predict properties on the Chemicalize site


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