ChemSpider 2D Image | 2-(4-{4-[(1-Carboxyheptyl)oxy]-3-methylphenoxy}phenoxy)octanoic acid | C29H40O7

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

  • Molecular FormulaC29H40O7
  • Average mass500.624 Da
  • Monoisotopic mass500.277405 Da
  • ChemSpider ID2315753

More details:

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

2-(4-{4-[(1-Carboxyheptyl)oxy]-3-methylphenoxy}phenoxy)octanoic acid [ACD/IUPAC Name]
2-(4-{4-[(1-Carboxyheptyl)oxy]-3-methylphenoxy}phenoxy)octansäure [German] [ACD/IUPAC Name]
Acide 2-(4-{4-[(1-carboxyheptyl)oxy]-3-méthylphénoxy}phénoxy)octanoïque [French] [ACD/IUPAC Name]
Octanoic acid, 2-[4-[4-[(1-carboxyheptyl)oxy]-3-methylphenoxy]phenoxy]- [ACD/Index Name]
2-(4-(4-((1-Carboxyheptyl)oxy)-3-methylphenoxy)phenoxy)octanoic acid
70886-50-9 [RN]
Acide ((carboxy-1 heptyloxy)-4 phenoxy)-4' methyl-2' phenoxy-2 octanoique [French]
Octanoic acid, 2-(4-(4-((1-carboxyheptyl)oxy)-3-methylphenoxy)phenoxy)-

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

Density: 1.1±0.1 g/cm3
Boiling Point: 632.0±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.9 mmHg at 25°C
Enthalpy of Vaporization: 98.2±3.0 kJ/mol
Flash Point: 199.5±25.0 °C
Index of Refraction: 1.536
Molar Refractivity: 138.8±0.3 cm3
#H bond acceptors: 7
#H bond donors: 2
#Freely Rotating Bonds: 18
#Rule of 5 Violations: 2
ACD/LogP: 7.92
ACD/LogD (pH 5.5): 3.42
ACD/BCF (pH 5.5): 23.35
ACD/KOC (pH 5.5): 21.82
ACD/LogD (pH 7.4): 2.83
ACD/BCF (pH 7.4): 6.00
ACD/KOC (pH 7.4): 5.61
Polar Surface Area: 102 Å2
Polarizability: 55.0±0.5 10-24cm3
Surface Tension: 43.6±3.0 dyne/cm
Molar Volume: 445.4±3.0 cm3

Click to predict properties on the Chemicalize site


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