Chemical Properties of Benzoic acid, 2,5-dichloro-3-hydroxy-6-methoxy- (CAS 7600-50-2)

InChI

InChI=1S/C8H6Cl2O4/c1-14-7-3(9)2-4(11)6(10)5(7)8(12)13/h2,11H,1H3,(H,12,13)

InChI Key

XYHBJALHMANCCC-UHFFFAOYSA-N

Formula

C8H6Cl2O4

SMILES

COc1c(Cl)cc(O)c(Cl)c1C(=O)O

Molecular Weight¹

237.04

CAS

7600-50-2

Other Names

• o-Anisic acid, 3,6-dichloro-5-hydroxy-
• 5-Hydroxydicamba
• 3,6-Dichloro-5-hydroxy-2-methoxybenzoic acid

• 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).
• T_fus : Normal melting (fusion) point (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

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	[330.82; 365.57]	J/mol×K	[748.01; 970.60]
Cp,gas	330.82	J/mol×K	748.01	Joback Calculated Property
Cp,gas	337.37	J/mol×K	785.11	Joback Calculated Property
Cp,gas	343.55	J/mol×K	822.21	Joback Calculated Property
Cp,gas	349.43	J/mol×K	859.31	Joback Calculated Property
Cp,gas	355.03	J/mol×K	896.40	Joback Calculated Property
Cp,gas	360.40	J/mol×K	933.50	Joback Calculated Property
Cp,gas	365.57	J/mol×K	970.60	Joback Calculated Property
η	[0.0000039; 0.0000680]	Pa×s	[548.44; 748.01]
η	0.0000680	Pa×s	548.44	Joback Calculated Property
η	0.0000368	Pa×s	581.70	Joback Calculated Property
η	0.0000213	Pa×s	614.96	Joback Calculated Property
η	0.0000130	Pa×s	648.23	Joback Calculated Property
η	0.0000084	Pa×s	681.49	Joback Calculated Property
η	0.0000056	Pa×s	714.75	Joback Calculated Property
η	0.0000039	Pa×s	748.01	Joback Calculated Property
ΔfusH	28.98	kJ/mol	409.80	NIST

Similar Compounds

Find more compounds similar to Benzoic acid, 2,5-dichloro-3-hydroxy-6-methoxy-.

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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