ChemSpider 2D Image | 4-[(Octadecyloxy)carbonyl]phthalic acid | C27H42O6

4-[(Octadecyloxy)carbonyl]phthalic acid

  • Molecular FormulaC27H42O6
  • Average mass462.619 Da
  • Monoisotopic mass462.298126 Da
  • ChemSpider ID34997365

More details:

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

1,2,4-Benzenetricarboxylic acid, 4-octadecyl ester [ACD/Index Name]
4-[(Octadecyloxy)carbonyl]phthalic acid [ACD/IUPAC Name]
4-[(Octadecyloxy)carbonyl]phthalsäure [German] [ACD/IUPAC Name]
Acide 4-[(octadécyloxy)carbonyl]phtalique [French] [ACD/IUPAC Name]
69373-08-6 [RN]
octadecyl dihydrogen benzene-1,2,4-tricarboxylate

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

Density: 1.1±0.1 g/cm3
Boiling Point: 603.1±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.8 mmHg at 25°C
Enthalpy of Vaporization: 94.3±3.0 kJ/mol
Flash Point: 190.9±23.6 °C
Index of Refraction: 1.515
Molar Refractivity: 130.6±0.3 cm3
#H bond acceptors: 6
#H bond donors: 2
#Freely Rotating Bonds: 21
#Rule of 5 Violations: 1
ACD/LogP: 10.21
ACD/LogD (pH 5.5): 6.87
ACD/BCF (pH 5.5): 15877.49
ACD/KOC (pH 5.5): 4059.69
ACD/LogD (pH 7.4): 6.05
ACD/BCF (pH 7.4): 2365.27
ACD/KOC (pH 7.4): 604.77
Polar Surface Area: 101 Å2
Polarizability: 51.8±0.5 10-24cm3
Surface Tension: 43.6±3.0 dyne/cm
Molar Volume: 433.0±3.0 cm3

Click to predict properties on the Chemicalize site


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