ChemSpider 2D Image | (2E)-4-(2,4-Dichloro-6-propoxyphenyl)-4-oxo-2-butenoic acid | C13H12Cl2O4

(2E)-4-(2,4-Dichloro-6-propoxyphenyl)-4-oxo-2-butenoic acid

  • Molecular FormulaC13H12Cl2O4
  • Average mass303.138 Da
  • Monoisotopic mass302.011261 Da
  • ChemSpider ID37765716

  • Double-bond stereo - Double-bond stereo

More details:

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

(2E)-4-(2,4-Dichlor-6-propoxyphenyl)-4-oxo-2-butensäure [German] [ACD/IUPAC Name]
(2E)-4-(2,4-Dichloro-6-propoxyphenyl)-4-oxo-2-butenoic acid [ACD/IUPAC Name]
2-Butenoic acid, 4-(2,4-dichloro-6-propoxyphenyl)-4-oxo-, (2E)- [ACD/Index Name]
Acide (2E)-4-(2,4-dichloro-6-propoxyphényl)-4-oxo-2-buténoïque [French] [ACD/IUPAC Name]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 484.3±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.3 mmHg at 25°C
Enthalpy of Vaporization: 78.9±3.0 kJ/mol
Flash Point: 246.7±28.7 °C
Index of Refraction: 1.567
Molar Refractivity: 72.9±0.3 cm3
#H bond acceptors: 4
#H bond donors: 1
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 3.80
ACD/LogD (pH 5.5): 0.85
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 4.85
ACD/LogD (pH 7.4): -0.29
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 64 Å2
Polarizability: 28.9±0.5 10-24cm3
Surface Tension: 48.6±3.0 dyne/cm
Molar Volume: 223.1±3.0 cm3

Click to predict properties on the Chemicalize site


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