Chemical Properties of Benzoic acid, 4-hydroxy-3,5-dimethyl-

InChI

InChI=1S/C9H10O3/c1-5-3-7(9(11)12)4-6(2)8(5)10/h3-4,10H,1-2H3,(H,11,12)

InChI Key

OMNHTTWQSSUZHO-UHFFFAOYSA-N

Formula

C9H10O3

SMILES

Cc1cc(C(=O)O)cc(C)c1O

Molecular Weight¹

166.18

• 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).
• 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_c : Critical 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 Pressure, Critical Volume, Enthalpy of vaporization at standard conditions, 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	[174.76; 392.24]	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			-1.49200e+01
Coefficient B			8.66340e-01
Coefficient C			-6.91880e-04
Coefficient D			2.32700e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	174.76	J/mol×K	273.00	Calculated Property
Cp,gas	215.28	J/mol×K	353.78	Calculated Property
Cp,gas	249.99	J/mol×K	434.56	Calculated Property
Cp,gas	279.64	J/mol×K	515.33	Calculated Property
Cp,gas	304.95	J/mol×K	596.11	Calculated Property
Cp,gas	326.66	J/mol×K	676.89	Calculated Property
Cp,gas	345.51	J/mol×K	757.67	Calculated Property
Cp,gas	362.23	J/mol×K	838.44	Calculated Property
Cp,gas	377.56	J/mol×K	919.22	Calculated Property
Cp,gas	392.24	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0001686; 0.0000349]	Pa×s	[514.97; 632.38]	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			-1.71750e+01
Coefficient B			4.37050e+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.			514.97
Temperature range, max.			632.38
η	0.0001686	Pa×s	514.97	Calculated Property
η	0.0001367	Pa×s	528.02	Calculated Property
η	0.0001120	Pa×s	541.06	Calculated Property
η	0.0000926	Pa×s	554.11	Calculated Property
η	0.0000772	Pa×s	567.15	Calculated Property
η	0.0000649	Pa×s	580.20	Calculated Property
η	0.0000550	Pa×s	593.25	Calculated Property
η	0.0000470	Pa×s	606.29	Calculated Property
η	0.0000403	Pa×s	619.34	Calculated Property
η	0.0000349	Pa×s	632.38	Calculated Property

Similar Compounds

Find more compounds similar to Benzoic acid, 4-hydroxy-3,5-dimethyl-.

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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