ChemSpider 2D Image | 2-{[(6-Oxo-2-propylheptyl)oxy]carbonyl}benzoic acid | C18H24O5

2-{[(6-Oxo-2-propylheptyl)oxy]carbonyl}benzoic acid

  • Molecular FormulaC18H24O5
  • Average mass320.380 Da
  • Monoisotopic mass320.162384 Da
  • ChemSpider ID48062590

More details:

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

1,2-Benzenedicarboxylic acid, mono(6-oxo-2-propylheptyl) ester [ACD/Index Name]
2-{[(6-Oxo-2-propylheptyl)oxy]carbonyl}benzoesäure [German] [ACD/IUPAC Name]
2-{[(6-Oxo-2-propylheptyl)oxy]carbonyl}benzoic acid [ACD/IUPAC Name]
Acide 2-{[(6-oxo-2-propylheptyl)oxy]carbonyl}benzoïque [French] [ACD/IUPAC Name]
1373125-92-8 [RN]
2-(((6-Oxo-2-propylheptyl)oxy)carbonyl)benzoic Acid

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

Density: 1.1±0.1 g/cm3
Boiling Point: 498.7±30.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.3 mmHg at 25°C
Enthalpy of Vaporization: 80.8±3.0 kJ/mol
Flash Point: 175.8±18.1 °C
Index of Refraction: 1.518
Molar Refractivity: 86.6±0.3 cm3
#H bond acceptors: 5
#H bond donors: 1
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 0
ACD/LogP: 3.22
ACD/LogD (pH 5.5): 1.51
ACD/BCF (pH 5.5): 2.61
ACD/KOC (pH 5.5): 17.57
ACD/LogD (pH 7.4): 0.51
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.74
Polar Surface Area: 81 Å2
Polarizability: 34.3±0.5 10-24cm3
Surface Tension: 43.6±3.0 dyne/cm
Molar Volume: 285.9±3.0 cm3

Click to predict properties on the Chemicalize site


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