ChemSpider 2D Image | 3,5-Dichloro-4-(3-ethoxy-2-methyl-3-oxoprop-1-en-1-yl)benzoic acid | C13H12Cl2O4

3,5-Dichloro-4-(3-ethoxy-2-methyl-3-oxoprop-1-en-1-yl)benzoic acid

  • Molecular FormulaC13H12Cl2O4
  • Average mass303.138 Da
  • Monoisotopic mass302.011261 Da
  • ChemSpider ID64954777

More details:

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

1110767-01-5 [RN]
3,5-Dichlor-4-[(1E)-3-ethoxy-2-methyl-3-oxo-1-propen-1-yl]benzoesäure [German] [ACD/IUPAC Name]
3,5-Dichloro-4-(3-ethoxy-2-methyl-3-oxoprop-1-en-1-yl)benzoic acid
3,5-Dichloro-4-[(1E)-3-ethoxy-2-methyl-3-oxo-1-propen-1-yl]benzoic acid [ACD/IUPAC Name]
Acide 3,5-dichloro-4-[(1E)-3-éthoxy-2-méthyl-3-oxo-1-propén-1-yl]benzoïque [French] [ACD/IUPAC Name]
Benzoic acid, 3,5-dichloro-4-[(1E)-3-ethoxy-2-methyl-3-oxo-1-propen-1-yl]- [ACD/Index Name]
(E)-3,5-Dichloro-4-(3-ethoxy-2-methyl-3-oxoprop-1-en-1-yl)benzoic acid
(Z)-3,5-Dichloro-4-(3-ethoxy-2-methyl-3-oxoprop-1-en-1-yl)benzoic acid
1110767-89-9 [RN]
2089386-33-2 [RN]
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Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.4±0.1 g/cm3
Boiling Point: 442.1±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.1 mmHg at 25°C
Enthalpy of Vaporization: 73.7±3.0 kJ/mol
Flash Point: 221.2±28.7 °C
Index of Refraction: 1.593
Molar Refractivity: 74.4±0.3 cm3
#H bond acceptors: 4
#H bond donors: 1
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 4.33
ACD/LogD (pH 5.5): 2.29
ACD/BCF (pH 5.5): 10.39
ACD/KOC (pH 5.5): 48.84
ACD/LogD (pH 7.4): 1.24
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 4.39
Polar Surface Area: 64 Å2
Polarizability: 29.5±0.5 10-24cm3
Surface Tension: 50.1±3.0 dyne/cm
Molar Volume: 219.6±3.0 cm3

Click to predict properties on the Chemicalize site


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