Chemical Properties of 3-(3,4-Dichlorophenyl)propionic acid (CAS 25173-68-6)

InChI

InChI=1S/C9H8Cl2O2/c10-7-3-1-6(5-8(7)11)2-4-9(12)13/h1,3,5H,2,4H2,(H,12,13)

InChI Key

NHYJRLYFKZYPMO-UHFFFAOYSA-N

Formula

C9H8Cl2O2

SMILES

O=C(O)CCc1ccc(Cl)c(Cl)c1

Molecular Weight¹

219.06

CAS

25173-68-6

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• η : Dynamic viscosity (Pa×s).
• 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 formation at standard conditions, 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	[184.68; 386.36]	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			1.97820e+01
Coefficient B			7.25300e-01
Coefficient C			-4.76320e-04
Coefficient D			1.17600e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	184.68	J/mol×K	273.00	Calculated Property
Cp,gas	221.97	J/mol×K	353.78	Calculated Property
Cp,gas	254.67	J/mol×K	434.56	Calculated Property
Cp,gas	283.15	J/mol×K	515.33	Calculated Property
Cp,gas	307.79	J/mol×K	596.11	Calculated Property
Cp,gas	328.96	J/mol×K	676.89	Calculated Property
Cp,gas	347.03	J/mol×K	757.67	Calculated Property
Cp,gas	362.37	J/mol×K	838.44	Calculated Property
Cp,gas	375.36	J/mol×K	919.22	Calculated Property
Cp,gas	386.36	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0008804; 0.0002547]	Pa×s	[463.09; 626.70]	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			-1.17866e+01
Coefficient B			2.20036e+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.			463.09
Temperature range, max.			626.70
η	0.0008804	Pa×s	463.09	Calculated Property
η	0.0007357	Pa×s	481.27	Calculated Property
η	0.0006230	Pa×s	499.45	Calculated Property
η	0.0005337	Pa×s	517.63	Calculated Property
η	0.0004620	Pa×s	535.81	Calculated Property
η	0.0004037	Pa×s	553.98	Calculated Property
η	0.0003559	Pa×s	572.16	Calculated Property
η	0.0003161	Pa×s	590.34	Calculated Property
η	0.0002828	Pa×s	608.52	Calculated Property
η	0.0002547	Pa×s	626.70	Calculated Property

Similar Compounds

Find more compounds similar to 3-(3,4-Dichlorophenyl)propionic acid.

Sources

• Cheméo Relay (1.0)
• 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.
Calculated This icon marks a calculated value or equation: a prediction, not a measurement.
These property values are available through the Cheméo API. A free account gives you an access key.