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.

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[416.34; 480.36]	J/mol×K	[654.16; 871.63]
Cp,gas	416.34	J/mol×K	654.16	Joback Calculated Property
Cp,gas	428.67	J/mol×K	690.41	Joback Calculated Property
Cp,gas	440.30	J/mol×K	726.65	Joback Calculated Property
Cp,gas	451.25	J/mol×K	762.90	Joback Calculated Property
Cp,gas	461.57	J/mol×K	799.14	Joback Calculated Property
Cp,gas	471.26	J/mol×K	835.39	Joback Calculated Property
Cp,gas	480.36	J/mol×K	871.63	Joback Calculated Property
η	[0.0000160; 0.0002815]	Pa×s	[453.99; 654.16]
η	0.0002815	Pa×s	453.99	Joback Calculated Property
η	0.0001483	Pa×s	487.35	Joback Calculated Property
η	0.0000848	Pa×s	520.71	Joback Calculated Property
η	0.0000519	Pa×s	554.08	Joback Calculated Property
η	0.0000336	Pa×s	587.44	Joback Calculated Property
η	0.0000227	Pa×s	620.80	Joback Calculated Property
η	0.0000160	Pa×s	654.16	Joback 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

Note: Cheméo is only indexing the data, follow the source links to retrieve the latest data. The source is also providing more information like the publication year, authors and more. Take the time to validate and double check the source of the data.
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