ChemSpider 2D Image | (2E,2'E)-4,4'-[(2,2,4-Trimethyl-1,3-pentanediyl)bis(oxy)]bis(4-oxo-2-butenoic acid) | C16H22O8

(2E,2'E)-4,4'-[(2,2,4-Trimethyl-1,3-pentanediyl)bis(oxy)]bis(4-oxo-2-butenoic acid)

  • Molecular FormulaC16H22O8
  • Average mass342.341 Da
  • Monoisotopic mass342.131470 Da
  • ChemSpider ID103880783

More details:

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

(2E,2'E)-4,4'-[(2,2,4-Trimethyl-1,3-pentandiyl)bis(oxy)]bis(4-oxo-2-butensäure) [German] [ACD/IUPAC Name]
(2E,2'E)-4,4'-[(2,2,4-Trimethyl-1,3-pentanediyl)bis(oxy)]bis(4-oxo-2-butenoic acid) [ACD/IUPAC Name]
2-Butenedioic acid, 1,1'-[2,2-dimethyl-1-(1-methylethyl)-1,3-propanediyl] ester, (2E,2'E)- [ACD/Index Name]
71550-60-2 [RN]
Acide (2E,2'E)-4,4'-[(2,2,4-triméthyl-1,3-pentanediyl)bis(oxy)]bis(4-oxo-2-buténoïque) [French] [ACD/IUPAC Name]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 517.2±40.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.9 mmHg at 25°C
Enthalpy of Vaporization: 86.4±6.0 kJ/mol
Flash Point: 183.4±20.8 °C
Index of Refraction: 1.510
Molar Refractivity: 82.9±0.3 cm3
#H bond acceptors: 8
#H bond donors: 2
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 0
ACD/LogP: 1.01
ACD/LogD (pH 5.5): -2.93
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -3.45
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 127 Å2
Polarizability: 32.8±0.5 10-24cm3
Surface Tension: 47.3±3.0 dyne/cm
Molar Volume: 276.9±3.0 cm3

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