Chemical Properties of 3-(2-Chlorophenyl)propionic acid (CAS 1643-28-3)

InChI

InChI=1S/C9H9ClO2/c10-8-4-2-1-3-7(8)5-6-9(11)12/h1-4H,5-6H2,(H,11,12)

InChI Key

KZMDFTFGWIVSNQ-UHFFFAOYSA-N

Formula

C9H9ClO2

SMILES

O=C(O)CCc1ccccc1Cl

Molecular Weight¹

184.62

CAS

1643-28-3

• 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).
• 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).
• P_c : Critical Pressure (kPa).
• 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 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	[168.73; 381.13]	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			-7.40800e+00
Coefficient B			7.78000e-01
Coefficient C			-5.22960e-04
Coefficient D			1.33500e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	168.73	J/mol×K	273.00	Calculated Property
Cp,gas	208.29	J/mol×K	353.78	Calculated Property
Cp,gas	242.88	J/mol×K	434.56	Calculated Property
Cp,gas	272.91	J/mol×K	515.33	Calculated Property
Cp,gas	298.81	J/mol×K	596.11	Calculated Property
Cp,gas	321.01	J/mol×K	676.89	Calculated Property
Cp,gas	339.91	J/mol×K	757.67	Calculated Property
Cp,gas	355.95	J/mol×K	838.44	Calculated Property
Cp,gas	369.55	J/mol×K	919.22	Calculated Property
Cp,gas	381.13	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0021934; 0.0002595]	Pa×s	[369.15; 594.19]	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			-1.17577e+01
Coefficient B			2.08030e+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.			369.15
Temperature range, max.			594.19
η	0.0021934	Pa×s	369.15	Calculated Property
η	0.0015341	Pa×s	394.15	Calculated Property
η	0.0011197	Pa×s	419.16	Calculated Property
η	0.0008468	Pa×s	444.16	Calculated Property
η	0.0006597	Pa×s	469.17	Calculated Property
η	0.0005271	Pa×s	494.17	Calculated Property
η	0.0004304	Pa×s	519.18	Calculated Property
η	0.0003580	Pa×s	544.18	Calculated Property
η	0.0003027	Pa×s	569.19	Calculated Property
η	0.0002595	Pa×s	594.19	Calculated Property

Similar Compounds

Find more compounds similar to 3-(2-Chlorophenyl)propionic acid.

Sources

• Jean-Claude Bradley Open Melting Point Dataset (2014, CC0) ChEDL chemicals 1.5.2, from Bradley, J.-C.; Williams, A.; Lang, A. Jean-Claude Bradley Open Melting Point Dataset. Figshare, 2014 (CC0).
• Cheméo Relay (1.0)
• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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