Chemical Properties of Benzoic acid, 3,6-dichloro-2-methoxy-, methyl ester

InChI

InChI=1S/C9H8Cl2O3/c1-13-8-6(11)4-3-5(10)7(8)9(12)14-2/h3-4H,1-2H3

InChI Key

AWSBKDYHGOOSML-UHFFFAOYSA-N

Formula

C9H8Cl2O3

SMILES

COC(=O)c1c(Cl)ccc(Cl)c1OC

Molecular Weight¹

235.07

Other Names

• 2-Methoxy-3,6-dichlorobenzoic acid methyl ester
• 60CS16
• Banvel 60CS16
• Benzoic acid, 3,6-dichloro-2-methoxy-, methyl ester
• Benzoic acid, 3,6-dichloro-2-methoxy-, methylated
• Dicamba-methyl
• Disugran
• Methyl 2-methoxy-3,6-dichlorobenzoate
• Methyl 3,6-dichloro-2-methoxybenzoate
• Methyl 3,6-dichloro-o-anisate
• Racusa
• Racuza
• o-Anisic acid, 3,6-dichloro-, methyl ester

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• η : Dynamic viscosity (Pa×s).
• Δ_fH°_gas : Enthalpy of formation at standard conditions (kJ/mol).
• Δ_fusH° : Enthalpy of fusion at standard conditions (kJ/mol).
• Δ_fusH : Enthalpy of fusion at a given temperature (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).
• 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

Cheméo can also estimate Critical Temperature, Critical Pressure, Critical Volume, 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	[321.99; 374.85]	J/mol×K	[602.64; 825.65]
Cp,gas	321.99	J/mol×K	602.64	Joback Calculated Property
Cp,gas	332.38	J/mol×K	639.81	Joback Calculated Property
Cp,gas	342.16	J/mol×K	676.98	Joback Calculated Property
Cp,gas	351.31	J/mol×K	714.14	Joback Calculated Property
Cp,gas	359.81	J/mol×K	751.31	Joback Calculated Property
Cp,gas	367.67	J/mol×K	788.48	Joback Calculated Property
Cp,gas	374.85	J/mol×K	825.65	Joback Calculated Property
η	[0.0001543; 0.0009764]	Pa×s	[379.57; 602.64]
η	0.0009764	Pa×s	379.57	Joback Calculated Property
η	0.0006259	Pa×s	416.75	Joback Calculated Property
η	0.0004316	Pa×s	453.93	Joback Calculated Property
η	0.0003148	Pa×s	491.11	Joback Calculated Property
η	0.0002400	Pa×s	528.28	Joback Calculated Property
η	0.0001897	Pa×s	565.46	Joback Calculated Property
η	0.0001543	Pa×s	602.64	Joback Calculated Property
ΔfusH	[18.49; 18.49]	kJ/mol	[304.60; 304.60]
ΔfusH	18.49	kJ/mol	304.60	NIST
ΔfusH	18.49	kJ/mol	304.60	NIST
ΔfusH	18.49	kJ/mol	304.60	NIST

Similar Compounds

Find more compounds similar to Benzoic acid, 3,6-dichloro-2-methoxy-, 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

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