Chemical Properties of Benzoic acid, 4-hydroxy-2-methoxy-3,6-dimethyl-, methyl ester (CAS 34874-75-4)

InChI

InChI=1S/C11H14O4/c1-6-5-8(12)7(2)10(14-3)9(6)11(13)15-4/h5,12H,1-4H3

InChI Key

LPHVUYDIEIQKTA-UHFFFAOYSA-N

Formula

C11H14O4

SMILES

COC(=O)c1c(C)cc(O)c(C)c1OC

Molecular Weight¹

210.23

CAS

34874-75-4

• 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).
• 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_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, Enthalpy of formation at standard conditions, Enthalpy of vaporization at standard conditions, Standard Gibbs free energy of formation, Acentric Factor, Ionization energy 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	[237.86; 508.21]	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			4.38700e+01
Coefficient B			8.28080e-01
Coefficient C			-4.55440e-04
Coefficient D			9.17000e-08
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	237.86	J/mol×K	273.00	Calculated Property
Cp,gas	283.88	J/mol×K	353.78	Calculated Property
Cp,gas	325.24	J/mol×K	434.56	Calculated Property
Cp,gas	362.21	J/mol×K	515.33	Calculated Property
Cp,gas	395.08	J/mol×K	596.11	Calculated Property
Cp,gas	424.15	J/mol×K	676.89	Calculated Property
Cp,gas	449.71	J/mol×K	757.67	Calculated Property
Cp,gas	472.05	J/mol×K	838.44	Calculated Property
Cp,gas	491.45	J/mol×K	919.22	Calculated Property
Cp,gas	508.21	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0002815; 0.0000256]	Pa×s	[453.99; 610.14]	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			-1.75378e+01
Coefficient B			4.25043e+03
Coefficient C			0.00000e+00
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Temperature range, min.			453.99
Temperature range, max.			610.14
η	0.0002815	Pa×s	453.99	Calculated Property
η	0.0001994	Pa×s	471.34	Calculated Property
η	0.0001448	Pa×s	488.69	Calculated Property
η	0.0001075	Pa×s	506.04	Calculated Property
η	0.0000813	Pa×s	523.39	Calculated Property
η	0.0000627	Pa×s	540.74	Calculated Property
η	0.0000491	Pa×s	558.09	Calculated Property
η	0.0000390	Pa×s	575.44	Calculated Property
η	0.0000314	Pa×s	592.79	Calculated Property
η	0.0000256	Pa×s	610.14	Calculated Property

Similar Compounds

Find more compounds similar to Benzoic acid, 4-hydroxy-2-methoxy-3,6-dimethyl-, 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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