Chemical Properties of Acetic acid, (4-chloro-2-methylphenoxy)-, methyl ester (CAS 2436-73-9)

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

CAS

2436-73-9

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

• ω : Acentric Factor.
• 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).
• 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).
• P_c : Critical Pressure (kPa).
• I_np : Non-polar retention indices.
• I : 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
ω	0.5806		Relay (1.0) Calculated Property
ΔfG°	-224.38	kJ/mol	Joback Calculated Property
ΔfH°gas	-488.80	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	23.09	kJ/mol	Joback Calculated Property
ΔvapH°	79.49	kJ/mol	Relay (1.0) 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
Pc	2814.34	kPa	Joback Calculated Property
Inp	[1522.00; 1546.00]
Inp	1525.00		NIST
Inp	1546.00		NIST
Inp	1522.00		NIST
Inp	1523.00		NIST
Inp	1525.00		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
Tc	753.82	K	Relay (1.0) Calculated Property
Tfus	311.70	K	Relay (1.0) Calculated Property
Vc	0.558	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[348.51; 411.11]	J/mol×K	[600.98; 817.52]
Cp,gas	348.51	J/mol×K	600.98	Joback Calculated Property
Cp,gas	360.58	J/mol×K	637.07	Joback Calculated Property
Cp,gas	372.00	J/mol×K	673.16	Joback Calculated Property
Cp,gas	382.77	J/mol×K	709.25	Joback Calculated Property
Cp,gas	392.89	J/mol×K	745.34	Joback Calculated Property
Cp,gas	402.34	J/mol×K	781.43	Joback Calculated Property
Cp,gas	411.11	J/mol×K	817.52	Joback Calculated Property
η	[0.0001655; 0.0010088]	Pa×s	[378.23; 600.98]
η	0.0010088	Pa×s	378.23	Joback Calculated Property
η	0.0006524	Pa×s	415.36	Joback Calculated Property
η	0.0004531	Pa×s	452.48	Joback Calculated Property
η	0.0003327	Pa×s	489.61	Joback Calculated Property
η	0.0002551	Pa×s	526.73	Joback Calculated Property
η	0.0002025	Pa×s	563.86	Joback Calculated Property
η	0.0001655	Pa×s	600.98	Joback Calculated Property

Similar Compounds

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

Sources

• Cheméo Relay (1.0)
• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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