Chemical Properties of Benzoic acid, 2-[(2,6-dichloro-3-methylphenyl)amino]-, methyl ester

InChI

InChI=1S/C15H13Cl2NO2/c1-9-7-8-11(16)14(13(9)17)18-12-6-4-3-5-10(12)15(19)20-2/h3-8,18H,1-2H3

InChI Key

IZZWHVDZJOINFQ-UHFFFAOYSA-N

Formula

C15H13Cl2NO2

SMILES

COC(=O)c1ccccc1Nc1c(Cl)ccc(C)c1Cl

Molecular Weight¹

310.18

Other Names

• Meclofenamic acid methyl derivative
• Meclofenamic acid, methyl deriv.
• Meclofenamic acid, methyl ester

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• Δ_fH°_gas : Enthalpy of formation at standard conditions (kJ/mol).
• 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).
• 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).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ΔfH°gas	-263.22	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	38.99	kJ/mol	Joback Calculated Property
IE	7.45	eV	Relay (1.0) Calculated Property
log10WS	-5.60		Relay (1.0) Calculated Property
logPoct/wat	4.832		Crippen Calculated Property
McVol	216.590	ml/mol	McGowan Calculated Property
Pc	2241.88	kPa	Joback Calculated Property
Inp	[2240.00; 2240.00]
Inp	2240.00		NIST
Inp	2240.00		NIST
Tboil	632.14	K	Relay (1.0) Calculated Property
Tc	954.42	K	Relay (1.0) Calculated Property
Tfus	366.26	K	Relay (1.0) Calculated Property

Cheméo can also estimate Critical Volume, 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	[556.98; 612.16]	J/mol×K	[799.33; 1040.66]
Cp,gas	556.98	J/mol×K	799.33	Joback Calculated Property
Cp,gas	568.93	J/mol×K	839.55	Joback Calculated Property
Cp,gas	579.73	J/mol×K	879.77	Joback Calculated Property
Cp,gas	589.41	J/mol×K	920.00	Joback Calculated Property
Cp,gas	598.03	J/mol×K	960.22	Joback Calculated Property
Cp,gas	605.60	J/mol×K	1000.44	Joback Calculated Property
Cp,gas	612.16	J/mol×K	1040.66	Joback Calculated Property

Similar Compounds

Find more compounds similar to Benzoic acid, 2-[(2,6-dichloro-3-methylphenyl)amino]-, methyl ester.

Sources

• Cheméo Relay (1.0)
• 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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