Chemical Properties of Acetic acid, (4-chloro-2-methylphenoxy)-, ethyl ester (CAS 2698-38-6)

InChI

InChI=1S/C11H13ClO3/c1-3-14-11(13)7-15-10-5-4-9(12)6-8(10)2/h4-6H,3,7H2,1-2H3

InChI Key

OUYDEKFRLSFDMU-UHFFFAOYSA-N

Formula

C11H13ClO3

SMILES

CCOC(=O)COc1ccc(Cl)cc1C

Molecular Weight¹

228.67

CAS

2698-38-6

Other Names

• Acetic acid, ((4-chloro-o-tolyl)oxy)-, ethyl ester
• Ethyl 2-methyl-4-chlorophenoxyacetate
• Mcpa ethyl ester
• Mcpee
• MCPA-ethyl
• 4-Chloro-2-methylphenoxyacetic acid ethyl ester
• 2M-4C, ethyl ester
• ethyl 4-chloro-o-tolyloxyacetate

• 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).
• 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.
• 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°	27.26	kJ/mol	Joback Calculated Property
log10WS	-3.39		Relay (1.0) Calculated Property
logPoct/wat	2.590		Crippen Calculated Property
McVol	167.640	ml/mol	McGowan Calculated Property
Inp	[1628.00; 1635.00]
Inp	1628.00		NIST
Inp	1635.00		NIST
Inp	1628.00		NIST
Inp	1628.00		NIST
Tboil	564.45	K	Relay (1.0) Calculated Property
Tfus	302.09	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, Ionization energy 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	[392.77; 460.35]	J/mol×K	[605.99; 816.75]
Cp,gas	392.77	J/mol×K	605.99	Joback Calculated Property
Cp,gas	405.90	J/mol×K	641.12	Joback Calculated Property
Cp,gas	418.28	J/mol×K	676.24	Joback Calculated Property
Cp,gas	429.92	J/mol×K	711.37	Joback Calculated Property
Cp,gas	440.81	J/mol×K	746.50	Joback Calculated Property
Cp,gas	450.95	J/mol×K	781.63	Joback Calculated Property
Cp,gas	460.35	J/mol×K	816.75	Joback Calculated Property
η	[0.0001354; 0.0012413]	Pa×s	[359.67; 605.99]
η	0.0012413	Pa×s	359.67	Joback Calculated Property
η	0.0007102	Pa×s	400.72	Joback Calculated Property
η	0.0004508	Pa×s	441.78	Joback Calculated Property
η	0.0003091	Pa×s	482.83	Joback Calculated Property
η	0.0002249	Pa×s	523.88	Joback Calculated Property
η	0.0001713	Pa×s	564.94	Joback Calculated Property
η	0.0001354	Pa×s	605.99	Joback Calculated Property

Similar Compounds

Find more compounds similar to Acetic acid, (4-chloro-2-methylphenoxy)-, ethyl 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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