Chemical Properties of Benzeneacetic acid, 3-hydroxy-, methyl ester

InChI

InChI=1S/C9H10O3/c1-12-9(11)6-7-3-2-4-8(10)5-7/h2-5,10H,6H2,1H3

InChI Key

AMDDOQIUPAINLH-UHFFFAOYSA-N

Formula

C9H10O3

SMILES

COC(=O)Cc1cccc(O)c1

Molecular Weight¹

166.18

Other Names

• Methyl m-hydroxyphenylacetate
• Methyl (3-hydroxyphenyl)acetate

• 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).
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• I_np : Non-polar retention indices.
• 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, Standard Gibbs free energy of formation, Acentric Factor, Log10 of Water solubility in mol/l 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	[172.37; 395.65]	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			-2.27090e+01
Coefficient B			8.79720e-01
Coefficient C			-6.58760e-04
Coefficient D			1.97400e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	172.37	J/mol×K	273.00	Calculated Property
Cp,gas	214.81	J/mol×K	353.78	Calculated Property
Cp,gas	251.38	J/mol×K	434.56	Calculated Property
Cp,gas	282.71	J/mol×K	515.33	Calculated Property
Cp,gas	309.43	J/mol×K	596.11	Calculated Property
Cp,gas	332.15	J/mol×K	676.89	Calculated Property
Cp,gas	351.52	J/mol×K	757.67	Calculated Property
Cp,gas	368.14	J/mol×K	838.44	Calculated Property
Cp,gas	382.64	J/mol×K	919.22	Calculated Property
Cp,gas	395.65	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0019188; 0.0000488]	Pa×s	[371.66; 557.54]	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			-1.72710e+01
Coefficient B			4.09380e+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.			371.66
Temperature range, max.			557.54
η	0.0019188	Pa×s	371.66	Calculated Property
η	0.0010745	Pa×s	392.31	Calculated Property
η	0.0006376	Pa×s	412.97	Calculated Property
η	0.0003976	Pa×s	433.62	Calculated Property
η	0.0002589	Pa×s	454.27	Calculated Property
η	0.0001749	Pa×s	474.93	Calculated Property
η	0.0001221	Pa×s	495.58	Calculated Property
η	0.0000878	Pa×s	516.23	Calculated Property
η	0.0000647	Pa×s	536.89	Calculated Property
η	0.0000488	Pa×s	557.54	Calculated Property

Similar Compounds

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

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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