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

InChI

InChI=1S/C8H6Cl2O3/c1-13-7-5(10)3-2-4(9)6(7)8(11)12/h2-3H,1H3,(H,11,12)

InChI Key

IWEDIXLBFLAXBO-UHFFFAOYSA-N

Formula

C8H6Cl2O3

SMILES

COc1c(Cl)ccc(Cl)c1C(=O)O

Molecular Weight¹

221.04

Other Names

• 2,5-Dichloro-6-methoxybenzoic acid
• 2-Methoxy-3,6-dichlorobenzoic acid
• 3,6-Dichloor-2-methoxy-benzoeizuur
• 3,6-Dichlor-3-methoxy-benzoesaeure
• 3,6-Dichloro-2-methoxybenzoic acid
• 3,6-Dichloro-o-anisic acid
• Acido (3,6-dicloro-2-metossi)-benzoico
• Banlen
• Banvel
• Banvel 480
• Banvel 70WP
• Banvel CST
• Banvel II herbicide
• Banvel SGF
• Banvel herbicide
• Brush buster
• Compound B dicamba
• Dianat
• Dianate
• Kyselina 3,6-dichlor-2-methoxybenzoova
• MDBA
• Mediben
• Vanquish
• Velsicol 58-CS-11
• Velsicol Compound "R"
• Velsicol compound R
• o-Anisic acid, 3,6-dichloro-

• 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).
• Δ_fusH : Enthalpy of fusion at a given temperature (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_fus : Normal melting (fusion) point (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ΔfusH°	29.07	kJ/mol	Joback Calculated Property
log10WS	-1.70		Aq. Solubility Prediction
logPoct/wat	2.700		Crippen Calculated Property
McVol	137.610	ml/mol	McGowan Calculated Property
Inp	[1617.00; 1617.00]
Inp	1617.00		NIST
Inp	1617.00		NIST
Tfus	[386.50; 387.23]	K
Tfus	387.23 ± 0.20	K	NIST
Tfus	386.50 ± 0.10	K	NIST

Cheméo can also estimate Normal Boiling Point Temperature, 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	[298.30; 339.01]	J/mol×K	[667.05; 901.93]
Cp,gas	298.30	J/mol×K	667.05	Joback Calculated Property
Cp,gas	306.50	J/mol×K	706.20	Joback Calculated Property
Cp,gas	314.12	J/mol×K	745.34	Joback Calculated Property
Cp,gas	321.18	J/mol×K	784.49	Joback Calculated Property
Cp,gas	327.67	J/mol×K	823.64	Joback Calculated Property
Cp,gas	333.61	J/mol×K	862.79	Joback Calculated Property
Cp,gas	339.01	J/mol×K	901.93	Joback Calculated Property
η	[0.0001828; 0.0006134]	Pa×s	[486.57; 667.05]
η	0.0006134	Pa×s	486.57	Joback Calculated Property
η	0.0004728	Pa×s	516.65	Joback Calculated Property
η	0.0003749	Pa×s	546.73	Joback Calculated Property
η	0.0003046	Pa×s	576.81	Joback Calculated Property
η	0.0002527	Pa×s	606.89	Joback Calculated Property
η	0.0002133	Pa×s	636.97	Joback Calculated Property
η	0.0001828	Pa×s	667.05	Joback Calculated Property
ΔfusH	22.90	kJ/mol	386.70	NIST

Similar Compounds

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

Sources

• 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
• Joback Method
• Aqueous Solubility Prediction 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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