Chemical Properties of m-Chlorocinnamic acid

InChI

InChI=1S/C9H7ClO2/c10-8-3-1-2-7(6-8)4-5-9(11)12/h1-6H,(H,11,12)/b5-4+

InChI Key

FFKGOJWPSXRALK-SNAWJCMRSA-N

Formula

C9H7ClO2

SMILES

O=C(O)/C=C/c1cccc(Cl)c1

Molecular Weight¹

182.61

Other Names

• 3-Chlorocinnamic acid
• trans-3-Chlorocinnamic acid
• 2-Propenoic acid, 3-(3-chlorophenyl)-
• Cinnamic acid, m-chloro-

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• η : Dynamic viscosity (Pa×s).
• Δ_fH°_gas : Enthalpy of formation at standard conditions (kJ/mol).
• Δ_fusH° : Enthalpy of fusion at standard conditions (kJ/mol).
• Δ_vapH° : Enthalpy of vaporization 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, 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	[154.72; 350.55]	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			-2.15900e+01
Coefficient B			7.98000e-01
Coefficient C			-6.06760e-04
Coefficient D			1.80900e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	154.72	J/mol×K	273.00	Calculated Property
Cp,gas	192.79	J/mol×K	353.78	Calculated Property
Cp,gas	225.45	J/mol×K	434.56	Calculated Property
Cp,gas	253.27	J/mol×K	515.33	Calculated Property
Cp,gas	276.81	J/mol×K	596.11	Calculated Property
Cp,gas	296.67	J/mol×K	676.89	Calculated Property
Cp,gas	313.39	J/mol×K	757.67	Calculated Property
Cp,gas	327.57	J/mol×K	838.44	Calculated Property
Cp,gas	339.76	J/mol×K	919.22	Calculated Property
Cp,gas	350.55	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0010018; 0.0002138]	Pa×s	[415.57; 604.12]	Joback Predicted correlation
Equation			Y = exp(A + B/T + C·ln(T) + D·T^E) Y is η in Pa×s, T in K
Coefficient A			-1.18547e+01
Coefficient B			2.05654e+03
Coefficient C			0.00000e+00
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Comment			Liquid phase. Joback/Reid (1987), valid from Tf to 0.7·Tc.
Temperature range, min.			415.57
Temperature range, max.			604.12
η	0.0010018	Pa×s	415.57	Calculated Property
η	0.0007900	Pa×s	436.52	Calculated Property
η	0.0006367	Pa×s	457.47	Calculated Property
η	0.0005229	Pa×s	478.42	Calculated Property
η	0.0004366	Pa×s	499.37	Calculated Property
η	0.0003699	Pa×s	520.32	Calculated Property
η	0.0003174	Pa×s	541.27	Calculated Property
η	0.0002755	Pa×s	562.22	Calculated Property
η	0.0002416	Pa×s	583.17	Calculated Property
η	0.0002138	Pa×s	604.12	Calculated Property

Similar Compounds

Find more compounds similar to m-Chlorocinnamic 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

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