ChemSpider 2D Image | 1-[(2R)-2-Ethylhexyl] 2,3-bis[(2S)-2-ethylhexyl] (2s)-2-acetoxy-1,2,3-propanetricarboxylate | C32H58O8

1-[(2R)-2-Ethylhexyl] 2,3-bis[(2S)-2-ethylhexyl] (2s)-2-acetoxy-1,2,3-propanetricarboxylate

  • Molecular FormulaC32H58O8
  • Average mass570.798 Da
  • Monoisotopic mass570.413147 Da
  • ChemSpider ID34988838

  • defined stereocentres - 4 of 4 defined stereocentres

More details:

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

(2s)-2-Acétoxy-1,2,3-propanetricarboxylate de 1-[(2R)-2-éthylhexyle] et de 2,3-bis[(2S)-2-éthylhexyle] [French] [ACD/IUPAC Name]
1,2,3-Propanetricarboxylic acid, 2-(acetyloxy)-, 1-[(2R)-2-ethylhexyl] 2,3-bis[(2S)-2-ethylhexyl] ester [ACD/Index Name]
1-[(2R)-2-Ethylhexyl] 2,3-bis[(2S)-2-ethylhexyl] (2s)-2-acetoxy-1,2,3-propanetricarboxylate [ACD/IUPAC Name]
1-[(2R)-2-Ethylhexyl]-2,3-bis[(2S)-2-ethylhexyl]-(2s)-2-acetoxy-1,2,3-propantricarboxylat [German] [ACD/IUPAC Name]
144-15-0 [RN]
205-617-0 [EINECS]
ACETYL TRIETHYLHEXYL CITRATE
UNII-150CTM9A3J

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

Density: 1.0±0.1 g/cm3
Boiling Point: 560.2±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.5 mmHg at 25°C
Enthalpy of Vaporization: 84.3±3.0 kJ/mol
Flash Point: 225.8±28.8 °C
Index of Refraction: 1.462
Molar Refractivity: 157.2±0.3 cm3
#H bond acceptors: 8
#H bond donors: 0
#Freely Rotating Bonds: 28
#Rule of 5 Violations: 2
ACD/LogP: 12.74
ACD/LogD (pH 5.5): 10.18
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 8251773.50
ACD/LogD (pH 7.4): 10.18
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 8251773.50
Polar Surface Area: 105 Å2
Polarizability: 62.3±0.5 10-24cm3
Surface Tension: 35.1±3.0 dyne/cm
Molar Volume: 571.9±3.0 cm3

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