ChemSpider 2D Image | 4-{[(5-Carboxy-2-ethylpentyl)oxy]carbonyl}benzoic acid | C16H20O6

4-{[(5-Carboxy-2-ethylpentyl)oxy]carbonyl}benzoic acid

  • Molecular FormulaC16H20O6
  • Average mass308.326 Da
  • Monoisotopic mass308.125977 Da
  • ChemSpider ID95761302

More details:

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

1,4-Benzenedicarboxylic acid, mono(5-carboxy-2-ethylpentyl) ester [ACD/Index Name]
4-{[(5-Carboxy-2-ethylpentyl)oxy]carbonyl}benzoesäure [German] [ACD/IUPAC Name]
4-{[(5-Carboxy-2-ethylpentyl)oxy]carbonyl}benzoic acid [ACD/IUPAC Name]
Acide 4-{[(5-carboxy-2-éthylpentyl)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: 518.0±35.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.4 mmHg at 25°C
Enthalpy of Vaporization: 83.2±3.0 kJ/mol
Flash Point: 189.0±19.4 °C
Index of Refraction: 1.543
Molar Refractivity: 78.9±0.3 cm3
#H bond acceptors: 6
#H bond donors: 2
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 0
ACD/LogP: 3.73
ACD/LogD (pH 5.5): 1.18
ACD/BCF (pH 5.5): 1.12
ACD/KOC (pH 5.5): 6.95
ACD/LogD (pH 7.4): -0.94
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 101 Å2
Polarizability: 31.3±0.5 10-24cm3
Surface Tension: 51.8±3.0 dyne/cm
Molar Volume: 250.4±3.0 cm3

Click to predict properties on the Chemicalize site


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