Chemical Properties of 2-[2-Chlorophenyl]propenoic acid

InChI

InChI=1S/C10H9ClO2/c1-7(6-10(12)13)8-4-2-3-5-9(8)11/h2-6H,1H3,(H,12,13)/b7-6+

InChI Key

MPYCDNZCWADMHD-SREVYHEPSA-N

Formula

C10H9ClO2

SMILES

C/C(=C/C(=O)O)c1ccccc1Cl

Molecular Weight¹

196.63

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• Δ_fH°_gas : Enthalpy of formation at standard conditions (kJ/mol).
• Δ_fusH° : Enthalpy of fusion at standard conditions (kJ/mol).
• IE : Ionization energy (eV).
• log₁₀WS : Log10 of Water solubility in mol/l.
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• T_boil : Normal Boiling Point Temperature (K).
• T_fus : Normal melting (fusion) point (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Cheméo can also estimate Critical Temperature, Critical Pressure, Critical Volume, Enthalpy of vaporization at standard conditions, Standard Gibbs free energy of formation, Acentric Factor for this compound, but they fall outside the models' validated range, so they are not shown here. Open the prediction tool to compute them on demand.

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[176.09; 401.87]	J/mol×K	[273.00; 1000.00]	Joback Predicted correlation
Equation			Y = A + B·T + C·T² + D·T³ + E·T⁴ Y is Cp,gas in J/mol×K, T in K
Coefficient A			-2.21900e+01
Coefficient B			8.92920e-01
Coefficient C			-6.63460e-04
Coefficient D			1.94600e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	176.09	J/mol×K	273.00	Calculated Property
Cp,gas	219.28	J/mol×K	353.78	Calculated Property
Cp,gas	256.52	J/mol×K	434.56	Calculated Property
Cp,gas	288.40	J/mol×K	515.33	Calculated Property
Cp,gas	315.55	J/mol×K	596.11	Calculated Property
Cp,gas	338.59	J/mol×K	676.89	Calculated Property
Cp,gas	358.12	J/mol×K	757.67	Calculated Property
Cp,gas	374.77	J/mol×K	838.44	Calculated Property
Cp,gas	389.15	J/mol×K	919.22	Calculated Property
Cp,gas	401.87	J/mol×K	1000.00	Calculated Property

Similar Compounds

Find more compounds similar to 2-[2-Chlorophenyl]propenoic acid.

Sources

• Cheméo Relay (1.0)
• Cheméo Relay (1.0, beta) Beta: served but experimental, data-limited and below our cross-validation release bar; the Joback value is recommended where available.
• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

Note: Cheméo is only indexing the data, follow the source links to retrieve the latest data. The source is also providing more information like the publication year, authors and more. Take the time to validate and double check the source of the data.
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