Chemical Properties of o-Chlorophenoxyacetic acid (CAS 614-61-9)

InChI

InChI=1S/C8H7ClO3/c9-6-3-1-2-4-7(6)12-5-8(10)11/h1-4H,5H2,(H,10,11)

InChI Key

OPQYFNRLWBWCST-UHFFFAOYSA-N

Formula

C8H7ClO3

SMILES

O=C(O)COc1ccccc1Cl

Molecular Weight¹

186.59

CAS

614-61-9

Other Names

• 2-(2-chlorophenoxy)acetic acid
• 2-Chlorophenoxyacetic acid
• Acetic acid, (2-chlorophenoxy)-
• Acetic acid, (o-chlorophenoxy)-
• Acide o-chlorophenoxyacetique

• 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	[162.92; 348.04]	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			1.90010e+01
Coefficient B			6.19800e-01
Coefficient C			-3.57560e-04
Coefficient D			6.68000e-08
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	162.92	J/mol×K	273.00	Calculated Property
Cp,gas	196.48	J/mol×K	353.78	Calculated Property
Cp,gas	226.30	J/mol×K	434.56	Calculated Property
Cp,gas	252.59	J/mol×K	515.33	Calculated Property
Cp,gas	275.56	J/mol×K	596.11	Calculated Property
Cp,gas	295.43	J/mol×K	676.89	Calculated Property
Cp,gas	312.40	J/mol×K	757.67	Calculated Property
Cp,gas	326.68	J/mol×K	838.44	Calculated Property
Cp,gas	338.49	J/mol×K	919.22	Calculated Property
Cp,gas	348.04	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0009654; 0.0002273]	Pa×s	[422.40; 594.76]	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			-1.19341e+01
Coefficient B			2.10823e+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.			422.40
Temperature range, max.			594.76
η	0.0009654	Pa×s	422.40	Calculated Property
η	0.0007775	Pa×s	441.55	Calculated Property
η	0.0006375	Pa×s	460.70	Calculated Property
η	0.0005311	Pa×s	479.85	Calculated Property
η	0.0004487	Pa×s	499.00	Calculated Property
η	0.0003838	Pa×s	518.15	Calculated Property
η	0.0003320	Pa×s	537.31	Calculated Property
η	0.0002901	Pa×s	556.46	Calculated Property
η	0.0002557	Pa×s	575.61	Calculated Property
η	0.0002273	Pa×s	594.76	Calculated Property

Similar Compounds

Find more compounds similar to o-Chlorophenoxyacetic 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
• Joback Method
• Aqueous Solubility Prediction Method
• McGowan Method
• NIST Webbook

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