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_fG° : Standard Gibbs free energy of formation (kJ/mol).
• 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).
• 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).
• I_np : Non-polar retention indices.
• T_boil : Normal Boiling Point Temperature (K).
• T_c : Critical Temperature (K).
• T_fus : Normal melting (fusion) point (K).
• V_c : Critical Volume (m³/kmol).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ΔfG°	-215.96	kJ/mol	Joback Calculated Property
ΔfH°gas	-449.54	kJ/mol	Joback Calculated Property
ΔfusH°	25.68	kJ/mol	Joback Calculated Property
ΔvapH°	59.63	kJ/mol	Joback Calculated Property
log10WS	-2.87		Crippen Calculated Property
logPoct/wat	2.590		Crippen Calculated Property
McVol	167.640	ml/mol	McGowan Calculated Property
Pc	2548.19	kPa	Joback Calculated Property
Inp	[1628.00; 1635.00]
Inp	1628.00		NIST
Inp	1635.00		NIST
Inp	1628.00		NIST
Inp	1628.00		NIST
Tboil	623.86	K	Joback Calculated Property
Tc	836.76	K	Joback Calculated Property
Tfus	389.50	K	Joback Calculated Property
Vc	0.634	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[396.31; 462.98]	J/mol×K	[623.86; 836.76]
Cp,gas	396.31	J/mol×K	623.86	Joback Calculated Property
Cp,gas	409.19	J/mol×K	659.34	Joback Calculated Property
Cp,gas	421.37	J/mol×K	694.83	Joback Calculated Property
Cp,gas	432.85	J/mol×K	730.31	Joback Calculated Property
Cp,gas	443.61	J/mol×K	765.79	Joback Calculated Property
Cp,gas	453.65	J/mol×K	801.27	Joback Calculated Property
Cp,gas	462.98	J/mol×K	836.76	Joback Calculated Property
η	[0.0001501; 0.0009740]	Pa×s	[389.50; 623.86]
η	0.0009740	Pa×s	389.50	Joback Calculated Property
η	0.0006188	Pa×s	428.56	Joback Calculated Property
η	0.0004241	Pa×s	467.62	Joback Calculated Property
η	0.0003081	Pa×s	506.68	Joback Calculated Property
η	0.0002343	Pa×s	545.74	Joback Calculated Property
η	0.0001848	Pa×s	584.80	Joback Calculated Property
η	0.0001501	Pa×s	623.86	Joback Calculated Property

Similar Compounds

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

Sources

• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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