ChemSpider 2D Image | 2-({[(2R)-2-Ethylhexyl]oxy}carbonyl)benzoic acid | C16H22O4

2-({[(2R)-2-Ethylhexyl]oxy}carbonyl)benzoic acid

  • Molecular FormulaC16H22O4
  • Average mass278.344 Da
  • Monoisotopic mass278.151794 Da
  • ChemSpider ID32809703

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

1,2-Benzenedicarboxylic acid, mono[(2R)-2-ethylhexyl] ester [ACD/Index Name]
2-({[(2R)-2-Ethylhexyl]oxy}carbonyl)benzoesäure [German] [ACD/IUPAC Name]
2-({[(2R)-2-Ethylhexyl]oxy}carbonyl)benzoic acid [ACD/IUPAC Name]
Acide 2-({[(2R)-2-éthylhexyl]oxy}carbonyl)benzoïque [French] [ACD/IUPAC Name]
2-(((2-Ethylhexyl)oxy)carbonyl)benzoic acid
4376-20-9 [RN]

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

Density: 1.1±0.1 g/cm3
Boiling Point: 408.9±28.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.0 mmHg at 25°C
Enthalpy of Vaporization: 69.7±3.0 kJ/mol
Flash Point: 144.1±17.5 °C
Index of Refraction: 1.517
Molar Refractivity: 77.3±0.3 cm3
#H bond acceptors: 4
#H bond donors: 1
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 0
ACD/LogP: 4.66
ACD/LogD (pH 5.5): 2.80
ACD/BCF (pH 5.5): 24.92
ACD/KOC (pH 5.5): 88.49
ACD/LogD (pH 7.4): 1.80
ACD/BCF (pH 7.4): 2.47
ACD/KOC (pH 7.4): 8.76
Polar Surface Area: 64 Å2
Polarizability: 30.7±0.5 10-24cm3
Surface Tension: 41.7±3.0 dyne/cm
Molar Volume: 255.8±3.0 cm3

Click to predict properties on the Chemicalize site


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