ChemSpider 2D Image | 2-{[(9-Carboxy-2-nonanyl)oxy]carbonyl}benzoic acid | C18H24O6

2-{[(9-Carboxy-2-nonanyl)oxy]carbonyl}benzoic acid

  • Molecular FormulaC18H24O6
  • Average mass336.380 Da
  • Monoisotopic mass336.157288 Da
  • ChemSpider ID58785100

More details:

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

1,2-Benzenedicarboxylic acid, mono(8-carboxy-1-methyloctyl) ester [ACD/Index Name]
2-{[(9-Carboxy-2-nonanyl)oxy]carbonyl}benzoesäure [German] [ACD/IUPAC Name]
2-{[(9-Carboxy-2-nonanyl)oxy]carbonyl}benzoic acid [ACD/IUPAC Name]
Acide 2-{[(9-carboxy-2-nonanyl)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: 533.1±35.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.5 mmHg at 25°C
Enthalpy of Vaporization: 85.2±3.0 kJ/mol
Flash Point: 188.7±19.4 °C
Index of Refraction: 1.535
Molar Refractivity: 88.2±0.3 cm3
#H bond acceptors: 6
#H bond donors: 2
#Freely Rotating Bonds: 12
#Rule of 5 Violations: 0
ACD/LogP: 3.63
ACD/LogD (pH 5.5): 0.97
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 3.86
ACD/LogD (pH 7.4): -0.84
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 101 Å2
Polarizability: 35.0±0.5 10-24cm3
Surface Tension: 49.4±3.0 dyne/cm
Molar Volume: 283.4±3.0 cm3

Click to predict properties on the Chemicalize site


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