ChemSpider 2D Image | Bis[(2R)-2-ethylhexyl] adipate | C22H42O4

Bis[(2R)-2-ethylhexyl] adipate

  • Molecular FormulaC22H42O4
  • Average mass370.566 Da
  • Monoisotopic mass370.308319 Da
  • ChemSpider ID32787426

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

Adipate de bis[(2R)-2-éthylhexyle] [French] [ACD/IUPAC Name]
Bis[(2R)-2-ethylhexyl] adipate [ACD/IUPAC Name]
Bis[(2R)-2-ethylhexyl]adipat [German] [ACD/IUPAC Name]
Hexanedioic acid, bis[(2R)-2-ethylhexyl] ester [ACD/Index Name]
203-090-1 [EINECS]
bis (2R)-ethylhexyl-hexanoate
DIETHYLHEXYL ADIPATE
UNII-MBY1SL921L

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

Density: 0.9±0.1 g/cm3
Boiling Point: 374.4±0.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.8 mmHg at 25°C
Enthalpy of Vaporization: 62.2±3.0 kJ/mol
Flash Point: 168.9±17.4 °C
Index of Refraction: 1.451
Molar Refractivity: 107.4±0.3 cm3
#H bond acceptors: 4
#H bond donors: 0
#Freely Rotating Bonds: 19
#Rule of 5 Violations: 1
ACD/LogP: 8.10
ACD/LogD (pH 5.5): 7.42
ACD/BCF (pH 5.5): 255822.91
ACD/KOC (pH 5.5): 258569.70
ACD/LogD (pH 7.4): 7.42
ACD/BCF (pH 7.4): 255822.91
ACD/KOC (pH 7.4): 258569.70
Polar Surface Area: 53 Å2
Polarizability: 42.6±0.5 10-24cm3
Surface Tension: 32.2±3.0 dyne/cm
Molar Volume: 399.4±3.0 cm3

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