ChemSpider 2D Image | 1-(2-Hexyldecyl) 1,2,4-benzenetricarboxylate | C25H38O6

1-(2-Hexyldecyl) 1,2,4-benzenetricarboxylate

  • Molecular FormulaC25H38O6
  • Average mass434.566 Da
  • Monoisotopic mass434.266846 Da
  • ChemSpider ID21164514

More details:

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

1-(2-Hexyldecyl) 1,2,4-benzenetricarboxylate
1,2,4-Benzenetricarboxylic acid, 1-(2-hexyldecyl) ester [ACD/Index Name]
285-033-0 [EINECS]
4-{[(2-Hexyldecyl)oxy]carbonyl}isophthalic acid [ACD/IUPAC Name]
4-{[(2-Hexyldecyl)oxy]carbonyl}isophthalsäure [German] [ACD/IUPAC Name]
85006-02-6 [RN]
Acide 4-{[(2-hexyldécyl)oxy]carbonyl}isophtalique [French] [ACD/IUPAC Name]
1-(2-hexyldecyl) dihydrogen benzene-1,2,4-tricarboxylate
4-{[(2-HEXYLDECYL)OXY]CARBONYL}BENZENE-1,3-DICARBOXYLIC 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: 586.3±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.7 mmHg at 25°C
Enthalpy of Vaporization: 92.1±3.0 kJ/mol
Flash Point: 189.6±22.2 °C
Index of Refraction: 1.518
Molar Refractivity: 121.3±0.3 cm3
#H bond acceptors: 6
#H bond donors: 2
#Freely Rotating Bonds: 18
#Rule of 5 Violations: 1
ACD/LogP: 9.11
ACD/LogD (pH 5.5): 5.46
ACD/BCF (pH 5.5): 1022.28
ACD/KOC (pH 5.5): 418.85
ACD/LogD (pH 7.4): 5.09
ACD/BCF (pH 7.4): 435.94
ACD/KOC (pH 7.4): 178.61
Polar Surface Area: 101 Å2
Polarizability: 48.1±0.5 10-24cm3
Surface Tension: 43.9±3.0 dyne/cm
Molar Volume: 400.4±3.0 cm3

Click to predict properties on the Chemicalize site


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