ChemSpider 2D Image | 2-(4-{4-[(1-Carboxyheptyl)oxy]-3-chlorophenoxy}phenoxy)octanoic acid | C28H37ClO7

2-(4-{4-[(1-Carboxyheptyl)oxy]-3-chlorophenoxy}phenoxy)octanoic acid

  • Molecular FormulaC28H37ClO7
  • Average mass521.042 Da
  • Monoisotopic mass520.222778 Da
  • ChemSpider ID2294919

More details:






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

2-(4-{4-[(1-Carboxyheptyl)oxy]-3-chlorophenoxy}phenoxy)octanoic acid [ACD/IUPAC Name]
2-(4-{4-[(1-Carboxyheptyl)oxy]-3-chlorphenoxy}phenoxy)octansäure [German] [ACD/IUPAC Name]
Acide 2-(4-{4-[(1-carboxyheptyl)oxy]-3-chlorophénoxy}phénoxy)octanoïque [French] [ACD/IUPAC Name]
Octanoic acid, 2-[4-[4-[(1-carboxyheptyl)oxy]-3-chlorophenoxy]phenoxy]- [ACD/Index Name]
2-(2-Chloro-4-(4-((1-carboxyheptyl)oxy)phenoxy)phenoxy)octanoic acid
Acide ((carboxy-1 heptyloxy)-4 phenoxy)-4' chloro-2' phenoxy-2 octanoique [French]
Octanoic acid, 2-(2-chloro-4-(4-((1-carboxyheptyl)oxy)phenoxy)phenoxy)-
RH0375000

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

Density: 1.2±0.1 g/cm3
Boiling Point: 644.1±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.0 mmHg at 25°C
Enthalpy of Vaporization: 99.9±3.0 kJ/mol
Flash Point: 343.3±31.5 °C
Index of Refraction: 1.542
Molar Refractivity: 138.9±0.3 cm3
#H bond acceptors: 7
#H bond donors: 2
#Freely Rotating Bonds: 18
#Rule of 5 Violations: 2
ACD/LogP: 8.13
ACD/LogD (pH 5.5): 3.61
ACD/BCF (pH 5.5): 30.61
ACD/KOC (pH 5.5): 24.45
ACD/LogD (pH 7.4): 3.14
ACD/BCF (pH 7.4): 10.43
ACD/KOC (pH 7.4): 8.33
Polar Surface Area: 102 Å2
Polarizability: 55.0±0.5 10-24cm3
Surface Tension: 45.1±3.0 dyne/cm
Molar Volume: 441.1±3.0 cm3

Click to predict properties on the Chemicalize site






Advertisement