ChemSpider 2D Image | (2R)-2-Ethylhexyl (2S)-2-ethylhexyl (2E)-2-butenedioate | C20H36O4

(2R)-2-Ethylhexyl (2S)-2-ethylhexyl (2E)-2-butenedioate

  • Molecular FormulaC20H36O4
  • Average mass340.497 Da
  • Monoisotopic mass340.261353 Da
  • ChemSpider ID34991108

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 2 of 2 defined stereocentres

More details:

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

(2E)-2-Butènedioate de (2R)-2-éthylhexyle et de (2S)-2-éthylhexyle [French] [ACD/IUPAC Name]
(2R)-2-Ethylhexyl (2S)-2-ethylhexyl (2E)-2-butenedioate [ACD/IUPAC Name]
(2R)-2-Ethylhexyl-(2S)-2-ethylhexyl-(2E)-2-butendioat [German] [ACD/IUPAC Name]
2-Butenedioic acid, (2R)-2-ethylhexyl (2S)-2-ethylhexyl ester, (2E)- [ACD/Index Name]
141-02-6 [RN]
205-448-2 [EINECS]
DIETHYLHEXYL FUMARATE
UNII-19Q90W09ES

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

Density: 0.9±0.1 g/cm3
Boiling Point: 409.8±18.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.0 mmHg at 25°C
Enthalpy of Vaporization: 66.2±3.0 kJ/mol
Flash Point: 190.4±19.6 °C
Index of Refraction: 1.458
Molar Refractivity: 98.2±0.3 cm3
#H bond acceptors: 4
#H bond donors: 0
#Freely Rotating Bonds: 16
#Rule of 5 Violations: 1
ACD/LogP: 7.69
ACD/LogD (pH 5.5): 6.81
ACD/BCF (pH 5.5): 87995.68
ACD/KOC (pH 5.5): 120455.01
ACD/LogD (pH 7.4): 6.81
ACD/BCF (pH 7.4): 87995.68
ACD/KOC (pH 7.4): 120455.01
Polar Surface Area: 53 Å2
Polarizability: 38.9±0.5 10-24cm3
Surface Tension: 32.5±3.0 dyne/cm
Molar Volume: 360.0±3.0 cm3

Click to predict properties on the Chemicalize site


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