ChemSpider 2D Image | 4-{[(2-Ethyl-5-hydroxyhexyl)oxy]carbonyl}benzoic acid | C16H22O5

4-{[(2-Ethyl-5-hydroxyhexyl)oxy]carbonyl}benzoic acid

  • Molecular FormulaC16H22O5
  • Average mass294.343 Da
  • Monoisotopic mass294.146729 Da
  • ChemSpider ID95725027

More details:

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

1,4-Benzenedicarboxylic acid, mono(2-ethyl-5-hydroxyhexyl) ester [ACD/Index Name]
4-{[(2-Ethyl-5-hydroxyhexyl)oxy]carbonyl}benzoesäure [German] [ACD/IUPAC Name]
4-{[(2-Ethyl-5-hydroxyhexyl)oxy]carbonyl}benzoic acid [ACD/IUPAC Name]
Acide 4-{[(2-éthyl-5-hydroxyhexyl)oxy]carbonyl}benzoïque [French] [ACD/IUPAC Name]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 465.5±30.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.2 mmHg at 25°C
Enthalpy of Vaporization: 76.6±3.0 kJ/mol
Flash Point: 167.3±18.1 °C
Index of Refraction: 1.534
Molar Refractivity: 78.8±0.3 cm3
#H bond acceptors: 5
#H bond donors: 2
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 0
ACD/LogP: 3.65
ACD/LogD (pH 5.5): 2.02
ACD/BCF (pH 5.5): 7.76
ACD/KOC (pH 5.5): 48.33
ACD/LogD (pH 7.4): 0.73
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 2.47
Polar Surface Area: 84 Å2
Polarizability: 31.3±0.5 10-24cm3
Surface Tension: 47.0±3.0 dyne/cm
Molar Volume: 253.7±3.0 cm3

Click to predict properties on the Chemicalize site


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