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 : 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
I	[2241.00; 2242.00]
I	2241.00		NIST
I	2242.00		NIST
I	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.

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[345.47; 408.98]	J/mol×K	[583.11; 797.42]
Cp,gas	345.47	J/mol×K	583.11	Joback Calculated Property
Cp,gas	357.79	J/mol×K	618.83	Joback Calculated Property
Cp,gas	369.42	J/mol×K	654.55	Joback Calculated Property
Cp,gas	380.35	J/mol×K	690.26	Joback Calculated Property
Cp,gas	390.60	J/mol×K	725.98	Joback Calculated Property
Cp,gas	400.14	J/mol×K	761.70	Joback Calculated Property
Cp,gas	408.98	J/mol×K	797.42	Joback Calculated Property
η	[0.0001499; 0.0012942]	Pa×s	[348.40; 583.11]
η	0.0012942	Pa×s	348.40	Joback Calculated Property
η	0.0007537	Pa×s	387.52	Joback Calculated Property
η	0.0004846	Pa×s	426.64	Joback Calculated Property
η	0.0003356	Pa×s	465.75	Joback Calculated Property
η	0.0002461	Pa×s	504.87	Joback Calculated Property
η	0.0001886	Pa×s	543.99	Joback Calculated Property
η	0.0001499	Pa×s	583.11	Joback 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

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.
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