Chemical Properties of 3,5-Dichloro-4-hydroxybenzoic acid (CAS 3336-41-2)

InChI

InChI=1S/C7H4Cl2O3/c8-4-1-3(7(11)12)2-5(9)6(4)10/h1-2,10H,(H,11,12)

InChI Key

AULKDLUOQCUNOK-UHFFFAOYSA-N

Formula

C7H4Cl2O3

SMILES

O=C(O)c1cc(Cl)c(O)c(Cl)c1

Molecular Weight¹

207.01

CAS

3336-41-2

Other Names

• Benzoic acid, 3,5-dichloro-4-hydroxy-

• 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_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.

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[159.14; 305.60]	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			1.26800e+01
Coefficient B			6.89900e-01
Coefficient C			-6.23880e-04
Coefficient D			2.26900e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	159.14	J/mol×K	273.00	Calculated Property
Cp,gas	188.71	J/mol×K	353.78	Calculated Property
Cp,gas	213.29	J/mol×K	434.56	Calculated Property
Cp,gas	233.58	J/mol×K	515.33	Calculated Property
Cp,gas	250.31	J/mol×K	596.11	Calculated Property
Cp,gas	264.19	J/mol×K	676.89	Calculated Property
Cp,gas	275.94	J/mol×K	757.67	Calculated Property
Cp,gas	286.28	J/mol×K	838.44	Calculated Property
Cp,gas	295.93	J/mol×K	919.22	Calculated Property
Cp,gas	305.60	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0001295; 0.0000328]	Pa×s	[552.27; 663.55]	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			-1.71452e+01
Coefficient B			4.52482e+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.			552.27
Temperature range, max.			663.55
η	0.0001295	Pa×s	552.27	Calculated Property
η	0.0001082	Pa×s	564.63	Calculated Property
η	0.0000911	Pa×s	577.00	Calculated Property
η	0.0000773	Pa×s	589.36	Calculated Property
η	0.0000660	Pa×s	601.73	Calculated Property
η	0.0000567	Pa×s	614.09	Calculated Property
η	0.0000491	Pa×s	626.46	Calculated Property
η	0.0000427	Pa×s	638.82	Calculated Property
η	0.0000373	Pa×s	651.19	Calculated Property
η	0.0000328	Pa×s	663.55	Calculated Property

Similar Compounds

Find more compounds similar to 3,5-Dichloro-4-hydroxybenzoic acid.

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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