ChemSpider 2D Image | Bis[(2S)-2-ethylhexyl] sebacate | C26H50O4

Bis[(2S)-2-ethylhexyl] sebacate

  • Molecular FormulaC26H50O4
  • Average mass426.673 Da
  • Monoisotopic mass426.370911 Da
  • ChemSpider ID34994416

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

Bis[(2S)-2-ethylhexyl] sebacate [ACD/IUPAC Name]
Bis[(2S)-2-ethylhexyl]sebacat [German] [ACD/IUPAC Name]
Decanedioic acid, bis[(2S)-2-ethylhexyl] ester [ACD/Index Name]
Sébacate de bis[(2S)-2-éthylhexyle] [French] [ACD/IUPAC Name]
204-558-8 [EINECS]
DIETHYLHEXYL SEBACATE
UNII-U9LS47Q72Q

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

HSDB 2898 [DBID]

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

Density: 0.9±0.1 g/cm3
Boiling Point: 435.5±0.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.0 mmHg at 25°C
Enthalpy of Vaporization: 69.2±3.0 kJ/mol
Flash Point: 189.7±18.2 °C
Index of Refraction: 1.454
Molar Refractivity: 126.0±0.3 cm3
#H bond acceptors: 4
#H bond donors: 0
#Freely Rotating Bonds: 23
#Rule of 5 Violations: 1
ACD/LogP: 9.86
ACD/LogD (pH 5.5): 8.91
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 1669830.75
ACD/LogD (pH 7.4): 8.91
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 1669830.75
Polar Surface Area: 53 Å2
Polarizability: 49.9±0.5 10-24cm3
Surface Tension: 32.4±3.0 dyne/cm
Molar Volume: 465.4±3.0 cm3

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