Chemical Properties of 2-(Acetyloxy)-3-methoxybenzoic acid

InChI

InChI=1S/C10H10O5/c1-6(11)15-9-7(10(12)13)4-3-5-8(9)14-2/h3-5H,1-2H3,(H,12,13)

InChI Key

GOBRPXJFIGHDQG-UHFFFAOYSA-N

Formula

C10H10O5

SMILES

COc1cccc(C(=O)O)c1OC(C)=O

Molecular Weight¹

210.18

• 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).
• 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).
• I_np : Non-polar retention indices.
• 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	[210.83; 448.02]	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			4.40000e+01
Coefficient B			6.88740e-01
Coefficient C			-2.84320e-04
Coefficient D			-4.00000e-10
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	210.83	J/mol×K	273.00	Calculated Property
Cp,gas	252.06	J/mol×K	353.78	Calculated Property
Cp,gas	289.57	J/mol×K	434.56	Calculated Property
Cp,gas	323.37	J/mol×K	515.33	Calculated Property
Cp,gas	353.45	J/mol×K	596.11	Calculated Property
Cp,gas	379.81	J/mol×K	676.89	Calculated Property
Cp,gas	402.44	J/mol×K	757.67	Calculated Property
Cp,gas	421.36	J/mol×K	838.44	Calculated Property
Cp,gas	436.55	J/mol×K	919.22	Calculated Property
Cp,gas	448.02	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0005818; 0.0001612]	Pa×s	[479.08; 638.42]	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			-1.25920e+01
Coefficient B			2.46369e+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.			479.08
Temperature range, max.			638.42
η	0.0005818	Pa×s	479.08	Calculated Property
η	0.0004843	Pa×s	496.78	Calculated Property
η	0.0004083	Pa×s	514.49	Calculated Property
η	0.0003482	Pa×s	532.19	Calculated Property
η	0.0003000	Pa×s	549.90	Calculated Property
η	0.0002609	Pa×s	567.60	Calculated Property
η	0.0002288	Pa×s	585.31	Calculated Property
η	0.0002022	Pa×s	603.01	Calculated Property
η	0.0001799	Pa×s	620.72	Calculated Property
η	0.0001612	Pa×s	638.42	Calculated Property

Similar Compounds

Find more compounds similar to 2-(Acetyloxy)-3-methoxybenzoic 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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Calculated This icon marks a calculated value or equation: a prediction, not a measurement.
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