ChemSpider 2D Image | 2,4-Bis{[(3,5,5-trimethylhexyl)oxy]carbonyl}benzoic acid | C27H42O6

2,4-Bis{[(3,5,5-trimethylhexyl)oxy]carbonyl}benzoic acid

  • Molecular FormulaC27H42O6
  • Average mass462.619 Da
  • Monoisotopic mass462.298126 Da
  • ChemSpider ID34998568

More details:

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

1,2,4-Benzenetricarboxylic acid, 2,4-bis(3,5,5-trimethylhexyl) ester [ACD/Index Name]
2,4-Bis{[(3,5,5-trimethylhexyl)oxy]carbonyl}benzoesäure [German] [ACD/IUPAC Name]
2,4-Bis{[(3,5,5-trimethylhexyl)oxy]carbonyl}benzoic acid [ACD/IUPAC Name]
Acide 2,4-bis{[(3,5,5-triméthylhexyl)oxy]carbonyl}benzoïque [French] [ACD/IUPAC Name]
94031-19-3 [RN]
bis-(3,5,5-Trimethylhexyl) hydrogen benzene-1,2,4-tricarboxylate

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

Density: 1.0±0.1 g/cm3
Boiling Point: 552.1±40.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.6 mmHg at 25°C
Enthalpy of Vaporization: 87.6±3.0 kJ/mol
Flash Point: 170.6±20.8 °C
Index of Refraction: 1.502
Molar Refractivity: 130.7±0.3 cm3
#H bond acceptors: 6
#H bond donors: 1
#Freely Rotating Bonds: 15
#Rule of 5 Violations: 1
ACD/LogP: 9.21
ACD/LogD (pH 5.5): 5.75
ACD/BCF (pH 5.5): 3583.69
ACD/KOC (pH 5.5): 2463.01
ACD/LogD (pH 7.4): 5.07
ACD/BCF (pH 7.4): 739.92
ACD/KOC (pH 7.4): 508.54
Polar Surface Area: 90 Å2
Polarizability: 51.8±0.5 10-24cm3
Surface Tension: 38.2±3.0 dyne/cm
Molar Volume: 442.7±3.0 cm3

Click to predict properties on the Chemicalize site


Advertisement