Chemical Properties of Isopropyl 3-formyl-2,4-dihydroxy-6-methylbenzoate

InChI

InChI=1S/C12H14O5/c1-6(2)17-12(16)10-7(3)4-9(14)8(5-13)11(10)15/h4-6,14-15H,1-3H3

InChI Key

BECXOCBQWLOZFB-UHFFFAOYSA-N

Formula

C12H14O5

SMILES

Cc1cc(O)c(C=O)c(O)c1C(=O)OC(C)C

Molecular Weight¹

238.24

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• η : Dynamic viscosity (Pa×s).
• Δ_fusH° : Enthalpy of fusion at standard conditions (kJ/mol).
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• I_np : Non-polar retention indices.
• T_fus : Normal melting (fusion) point (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Cheméo can also estimate Normal Boiling Point Temperature, Critical Temperature, Critical Pressure, Critical Volume, Enthalpy of formation at standard conditions, Enthalpy of vaporization at standard conditions, Standard Gibbs free energy of formation, Acentric Factor, Ionization energy, 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	[262.60; 558.08]	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			3.96000e+00
Coefficient B			1.18076e+00
Coefficient C			-9.40440e-04
Coefficient D			3.13800e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	262.60	J/mol×K	273.00	Calculated Property
Cp,gas	317.88	J/mol×K	353.78	Calculated Property
Cp,gas	365.23	J/mol×K	434.56	Calculated Property
Cp,gas	405.64	J/mol×K	515.33	Calculated Property
Cp,gas	440.11	J/mol×K	596.11	Calculated Property
Cp,gas	469.63	J/mol×K	676.89	Calculated Property
Cp,gas	495.20	J/mol×K	757.67	Calculated Property
Cp,gas	517.80	J/mol×K	838.44	Calculated Property
Cp,gas	538.43	J/mol×K	919.22	Calculated Property
Cp,gas	558.08	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0000200; 0.0000019]	Pa×s	[569.23; 705.27]	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			-2.31477e+01
Coefficient B			7.01699e+03
Coefficient C			0.00000e+00
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Temperature range, min.			569.23
Temperature range, max.			705.27
η	0.0000200	Pa×s	569.23	Calculated Property
η	0.0000145	Pa×s	584.35	Calculated Property
η	0.0000107	Pa×s	599.46	Calculated Property
η	0.0000080	Pa×s	614.58	Calculated Property
η	0.0000061	Pa×s	629.69	Calculated Property
η	0.0000047	Pa×s	644.81	Calculated Property
η	0.0000037	Pa×s	659.92	Calculated Property
η	0.0000029	Pa×s	675.04	Calculated Property
η	0.0000023	Pa×s	690.15	Calculated Property
η	0.0000019	Pa×s	705.27	Calculated Property

Similar Compounds

Find more compounds similar to Isopropyl 3-formyl-2,4-dihydroxy-6-methylbenzoate.

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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