ChemSpider 2D Image | 3-(4-Chlorophenyl)-3-butenoic acid | C10H9ClO2

3-(4-Chlorophenyl)-3-butenoic acid

  • Molecular FormulaC10H9ClO2
  • Average mass196.630 Da
  • Monoisotopic mass196.029114 Da
  • ChemSpider ID27285299

More details:

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

3-(4-Chlorophenyl)-3-butenoic acid [ACD/IUPAC Name]
3-(4-chlorophenyl)but-3-enoic acid
3-(4-Chlorphenyl)-3-butensäure [German] [ACD/IUPAC Name]
81187-88-4 [RN]
Acide 3-(4-chlorophényl)-3-buténoïque [French] [ACD/IUPAC Name]
Benzenepropanoic acid, 4-chloro-β-methylene- [ACD/Index Name]
MFCD20641704

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

Density: 1.2±0.1 g/cm3
Boiling Point: 342.8±22.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.8 mmHg at 25°C
Enthalpy of Vaporization: 61.9±3.0 kJ/mol
Flash Point: 161.1±22.3 °C
Index of Refraction: 1.565
Molar Refractivity: 51.5±0.3 cm3
#H bond acceptors: 2
#H bond donors: 1
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 2.68
ACD/LogD (pH 5.5): 1.42
ACD/BCF (pH 5.5): 3.52
ACD/KOC (pH 5.5): 37.57
ACD/LogD (pH 7.4): -0.36
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 37 Å2
Polarizability: 20.4±0.5 10-24cm3
Surface Tension: 44.9±3.0 dyne/cm
Molar Volume: 158.3±3.0 cm3

Click to predict properties on the Chemicalize site


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