Chemical Properties of Benzoic acid, 2-hydroxy-3-methyl-, methyl ester (CAS 23287-26-5)

InChI

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

InChI Key

SUHLUMKZPUMAFP-UHFFFAOYSA-N

Formula

C9H10O3

SMILES

COC(=O)c1cccc(C)c1O

Molecular Weight¹

166.17

CAS

23287-26-5

Other Names

• 2,3-Cresotic acid, methyl ester
• Methyl o-cresotinate
• Methyl 2-hydroxy-3-methylbenzoate
• Methyl 3-methylsalicylate
• Methyl ester of 2-hydroxy-3-methylbenzoic acid

• ω : Acentric Factor.
• 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).
• P_c : Critical Pressure (kPa).
• T_boil : Normal Boiling Point Temperature (K).
• T_boilr : Boiling point at reduced pressure (K).
• T_c : Critical Temperature (K).
• T_fus : Normal melting (fusion) point (K).
• V_c : Critical Volume (m³/kmol).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Cheméo can also estimate Standard Gibbs free energy of formation for this compound, but it falls outside the models' validated range, so it is not shown here. Open the prediction tool to compute it on demand.

Pressure Dependent Properties

Property	Value	Unit	Pressure (kPa)	Source
Tboilr	[384.20; 390.00]	K	[1.70; 2.40]
Tboilr	384.20	K	1.70	NIST
Tboilr	390.00 ± 1.00	K	2.40	NIST

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[174.92; 392.61]	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			-8.41000e+00
Coefficient B			8.20240e-01
Coefficient C			-5.91720e-04
Coefficient D			1.72500e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	174.92	J/mol×K	273.00	Calculated Property
Cp,gas	215.35	J/mol×K	353.78	Calculated Property
Cp,gas	250.45	J/mol×K	434.56	Calculated Property
Cp,gas	280.75	J/mol×K	515.33	Calculated Property
Cp,gas	306.82	J/mol×K	596.11	Calculated Property
Cp,gas	329.19	J/mol×K	676.89	Calculated Property
Cp,gas	348.40	J/mol×K	757.67	Calculated Property
Cp,gas	365.02	J/mol×K	838.44	Calculated Property
Cp,gas	379.57	J/mol×K	919.22	Calculated Property
Cp,gas	392.61	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0012883; 0.0000463]	Pa×s	[384.18; 561.76]	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			-1.71770e+01
Coefficient B			4.04254e+03
Coefficient C			0.00000e+00
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Temperature range, min.			384.18
Temperature range, max.			561.76
η	0.0012883	Pa×s	384.18	Calculated Property
η	0.0007705	Pa×s	403.91	Calculated Property
η	0.0004834	Pa×s	423.64	Calculated Property
η	0.0003162	Pa×s	443.37	Calculated Property
η	0.0002144	Pa×s	463.10	Calculated Property
η	0.0001501	Pa×s	482.84	Calculated Property
η	0.0001080	Pa×s	502.57	Calculated Property
η	0.0000797	Pa×s	522.30	Calculated Property
η	0.0000601	Pa×s	542.03	Calculated Property
η	0.0000463	Pa×s	561.76	Calculated Property

Similar Compounds

Find more compounds similar to Benzoic acid, 2-hydroxy-3-methyl-, methyl ester.

Sources

• Cheméo Relay (1.0)
• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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