ChemSpider 2D Image | 4-Oxo-4-[2-(3-pentadecylphenoxy)ethoxy]butanoic acid | C27H44O5

4-Oxo-4-[2-(3-pentadecylphenoxy)ethoxy]butanoic acid

  • Molecular FormulaC27H44O5
  • Average mass448.635 Da
  • Monoisotopic mass448.318878 Da
  • ChemSpider ID30651970

More details:

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

4-Oxo-4-[2-(3-pentadecylphenoxy)ethoxy]butanoic acid [ACD/IUPAC Name]
4-Oxo-4-[2-(3-pentadecylphenoxy)ethoxy]butansäure [German] [ACD/IUPAC Name]
Acide 4-oxo-4-[2-(3-pentadécylphénoxy)éthoxy]butanoïque [French] [ACD/IUPAC Name]
Butanedioic acid, mono[2-(3-pentadecylphenoxy)ethyl] ester [ACD/Index Name]

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

Density: 1.0±0.1 g/cm3
Boiling Point: 572.0±35.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.7 mmHg at 25°C
Enthalpy of Vaporization: 90.2±3.0 kJ/mol
Flash Point: 178.9±19.4 °C
Index of Refraction: 1.497
Molar Refractivity: 129.2±0.3 cm3
#H bond acceptors: 5
#H bond donors: 1
#Freely Rotating Bonds: 22
#Rule of 5 Violations: 1
ACD/LogP: 9.12
ACD/LogD (pH 5.5): 7.87
ACD/BCF (pH 5.5): 300091.66
ACD/KOC (pH 5.5): 136629.00
ACD/LogD (pH 7.4): 6.08
ACD/BCF (pH 7.4): 4804.06
ACD/KOC (pH 7.4): 2187.25
Polar Surface Area: 73 Å2
Polarizability: 51.2±0.5 10-24cm3
Surface Tension: 39.0±3.0 dyne/cm
Molar Volume: 441.5±3.0 cm3

Click to predict properties on the Chemicalize site


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