ChemSpider 2D Image | (2E)-2-[(2,3-Dichlorophenyl)ethynyl]-2-butenedioic acid | C12H6Cl2O4

(2E)-2-[(2,3-Dichlorophenyl)ethynyl]-2-butenedioic acid

  • Molecular FormulaC12H6Cl2O4
  • Average mass285.080 Da
  • Monoisotopic mass283.964325 Da
  • ChemSpider ID87883165

  • Double-bond stereo - Double-bond stereo

More details:

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

(2E)-2-[(2,3-Dichlorophenyl)ethynyl]-2-butenedioic acid [ACD/IUPAC Name]
(2E)-2-[(2,3-Dichlorphenyl)ethinyl]-2-butendisäure [German] [ACD/IUPAC Name]
2-Butenedioic acid, 2-[2-(2,3-dichlorophenyl)ethynyl]-, (2E)- [ACD/Index Name]
Acide (2E)-2-[(2,3-dichlorophényl)éthynyl]-2-butènedioïque [French] [ACD/IUPAC Name]

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

Density: 1.6±0.1 g/cm3
Boiling Point: 489.1±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.3 mmHg at 25°C
Enthalpy of Vaporization: 79.6±3.0 kJ/mol
Flash Point: 249.6±28.7 °C
Index of Refraction: 1.661
Molar Refractivity: 65.2±0.4 cm3
#H bond acceptors: 4
#H bond donors: 2
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 4.24
ACD/LogD (pH 5.5): -1.31
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -1.52
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 75 Å2
Polarizability: 25.8±0.5 10-24cm3
Surface Tension: 77.8±5.0 dyne/cm
Molar Volume: 176.4±5.0 cm3

Click to predict properties on the Chemicalize site


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