Chemical Properties of Benzeneacetic acid, 2,5-dimethoxy-4-propylthio, methyl ester

InChI

InChI=1S/C14H20O4S/c1-5-6-19-13-9-11(16-2)10(7-12(13)17-3)8-14(15)18-4/h7,9H,5-6,8H2,1-4H3

InChI Key

INXGDHLDEGRBHC-UHFFFAOYSA-N

Formula

C14H20O4S

SMILES

CCCSc1cc(OC)c(CC(=O)OC)cc1OC

Molecular Weight¹

284.38

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• 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.
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Cheméo can also estimate Normal Boiling Point Temperature, Normal melting (fusion) point, 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.

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[604.10; 676.89]	J/mol×K	[751.25; 964.89]
Cp,gas	604.10	J/mol×K	751.25	Joback Calculated Property
Cp,gas	618.85	J/mol×K	786.86	Joback Calculated Property
Cp,gas	632.59	J/mol×K	822.46	Joback Calculated Property
Cp,gas	645.29	J/mol×K	858.07	Joback Calculated Property
Cp,gas	656.92	J/mol×K	893.68	Joback Calculated Property
Cp,gas	667.46	J/mol×K	929.28	Joback Calculated Property
Cp,gas	676.89	J/mol×K	964.89	Joback Calculated Property

Similar Compounds

Find more compounds similar to Benzeneacetic acid, 2,5-dimethoxy-4-propylthio, 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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