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

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[198.31; 372.65]	J/mol×K	[273.00; 1000.00]	Joback Predicted correlation
Equation			Y = A + B·T + C·T² + D·T³ + E·T⁴ Y is Cp,gas in J/mol×K, T in K
Coefficient A			5.15700e+01
Coefficient B			6.62220e-01
Coefficient C			-5.00240e-04
Coefficient D			1.59100e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	198.31	J/mol×K	273.00	Calculated Property
Cp,gas	230.28	J/mol×K	353.78	Calculated Property
Cp,gas	257.93	J/mol×K	434.56	Calculated Property
Cp,gas	281.76	J/mol×K	515.33	Calculated Property
Cp,gas	302.27	J/mol×K	596.11	Calculated Property
Cp,gas	319.96	J/mol×K	676.89	Calculated Property
Cp,gas	335.34	J/mol×K	757.67	Calculated Property
Cp,gas	348.92	J/mol×K	838.44	Calculated Property
Cp,gas	361.19	J/mol×K	919.22	Calculated Property
Cp,gas	372.65	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0023066; 0.0000218]	Pa×s	[410.35; 692.84]	Joback Predicted correlation
Equation			Y = exp(A + B/T + C·ln(T) + D·T^E) Y is η in Pa×s, T in K
Coefficient A			-1.75008e+01
Coefficient B			4.68981e+03
Coefficient C			0.00000e+00
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Comment			Liquid phase. Joback/Reid (1987), valid from Tf to 0.7·Tc.
Temperature range, min.			410.35
Temperature range, max.			692.84
η	0.0023066	Pa×s	410.35	Calculated Property
η	0.0010240	Pa×s	441.74	Calculated Property
η	0.0005063	Pa×s	473.12	Calculated Property
η	0.0002733	Pa×s	504.51	Calculated Property
η	0.0001585	Pa×s	535.90	Calculated Property
η	0.0000977	Pa×s	567.29	Calculated Property
η	0.0000633	Pa×s	598.67	Calculated Property
η	0.0000429	Pa×s	630.06	Calculated Property
η	0.0000301	Pa×s	661.45	Calculated Property
η	0.0000218	Pa×s	692.84	Calculated Property

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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