ChemSpider 2D Image | (2E,4E)-6-Ethoxy-4-methyl-6-oxo-2,4-hexadienoic acid | C9H12O4

(2E,4E)-6-Ethoxy-4-methyl-6-oxo-2,4-hexadienoic acid

  • Molecular FormulaC9H12O4
  • Average mass184.189 Da
  • Monoisotopic mass184.073563 Da
  • ChemSpider ID95643429

  • Double-bond stereo - Double-bond stereo

More details:

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

(2E,4E)-6-Ethoxy-4-methyl-6-oxo-2,4-hexadienoic acid [ACD/IUPAC Name]
(2E,4E)-6-Ethoxy-4-methyl-6-oxo-2,4-hexadiensäure [German] [ACD/IUPAC Name]
2,4-Hexadienedioic acid, 3-methyl-, 1-ethyl ester, (2E,4E)- [ACD/Index Name]
Acide (2E,4E)-6-éthoxy-4-méthyl-6-oxo-2,4-hexadiénoïque [French] [ACD/IUPAC Name]

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

Density: 1.1±0.1 g/cm3
Boiling Point: 318.9±25.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.5 mmHg at 25°C
Enthalpy of Vaporization: 61.6±6.0 kJ/mol
Flash Point: 125.2±16.7 °C
Index of Refraction: 1.492
Molar Refractivity: 47.0±0.3 cm3
#H bond acceptors: 4
#H bond donors: 1
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 1.38
ACD/LogD (pH 5.5): 0.12
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 8.98
ACD/LogD (pH 7.4): -1.68
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 64 Å2
Polarizability: 18.6±0.5 10-24cm3
Surface Tension: 39.7±3.0 dyne/cm
Molar Volume: 162.2±3.0 cm3

Click to predict properties on the Chemicalize site


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