Chemical Properties of Acetic acid, (4-chloro-2-methylphenoxy)-, methyl ester

InChI

InChI=1S/C10H11ClO3/c1-7-5-8(11)3-4-9(7)14-6-10(12)13-2/h3-5H,6H2,1-2H3

InChI Key

VWERIRLJUWTNDA-UHFFFAOYSA-N

Formula

C10H11ClO3

SMILES

COC(=O)COc1ccc(Cl)cc1C

Molecular Weight¹

214.65

Other Names

• Acetic acid, [(4-chloro-o-tolyl)oxy]-, methyl ester
• Methyl 4-chloro-2-methylphenoxyacetate
• 2-Methyl-4-chlorophenoxyacetic acid methyl ester
• MCPA Methyl ester
• Phenoxyacetic acid, 4-chloro-2-methyl, methyl ester
• (2-Methyl-4- chlorophenoxy)acetic acid-Methyl

• 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).
• I_np : Non-polar retention indices.
• I_p : Polar retention indices.
• 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

Property	Value	Unit	Source
ΔfusH°	24.67	kJ/mol	Joback Calculated Property
IE	8.28	eV	Relay (1.0) Calculated Property
log10WS	-3.05		Relay (1.0) Calculated Property
logPoct/wat	2.200		Crippen Calculated Property
McVol	153.550	ml/mol	McGowan Calculated Property
Inp	[1522.00; 1546.00]
Inp	1525.00		NIST
Inp	1525.00		NIST
Inp	1546.00		NIST
Inp	1522.00		NIST
Inp	1523.00		NIST
Ip	[2241.00; 2242.00]
Ip	2241.00		NIST
Ip	2242.00		NIST
Ip	2241.00		NIST
Tboil	550.02	K	Relay (1.0) Calculated Property
Tfus	303.97	K	Relay (1.0) Calculated Property

Cheméo can also estimate Critical Temperature, Critical Pressure, 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	[210.61; 445.51]	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			5.22910e+01
Coefficient B			6.44740e-01
Coefficient C			-2.32120e-04
Coefficient D			-1.94000e-08
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	210.61	J/mol×K	273.00	Calculated Property
Cp,gas	250.47	J/mol×K	353.78	Calculated Property
Cp,gas	287.04	J/mol×K	434.56	Calculated Property
Cp,gas	320.25	J/mol×K	515.33	Calculated Property
Cp,gas	350.03	J/mol×K	596.11	Calculated Property
Cp,gas	376.34	J/mol×K	676.89	Calculated Property
Cp,gas	399.10	J/mol×K	757.67	Calculated Property
Cp,gas	418.26	J/mol×K	838.44	Calculated Property
Cp,gas	433.75	J/mol×K	919.22	Calculated Property
Cp,gas	445.51	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0012942; 0.0001729]	Pa×s	[348.40; 558.19]	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			-1.20060e+01
Coefficient B			1.86607e+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.			348.40
Temperature range, max.			558.19
η	0.0012942	Pa×s	348.40	Calculated Property
η	0.0009250	Pa×s	371.71	Calculated Property
η	0.0006878	Pa×s	395.02	Calculated Property
η	0.0005286	Pa×s	418.33	Calculated Property
η	0.0004177	Pa×s	441.64	Calculated Property
η	0.0003380	Pa×s	464.95	Calculated Property
η	0.0002790	Pa×s	488.26	Calculated Property
η	0.0002344	Pa×s	511.57	Calculated Property
η	0.0002000	Pa×s	534.88	Calculated Property
η	0.0001729	Pa×s	558.19	Calculated Property

Similar Compounds

Find more compounds similar to Acetic acid, (4-chloro-2-methylphenoxy)-, methyl ester.

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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