Chemical Properties of Phenylthioacetic acid, 3,5-dimethylphenyl ester

InChI

InChI=1S/C16H16O2S/c1-12-8-13(2)10-14(9-12)18-16(17)11-19-15-6-4-3-5-7-15/h3-10H,11H2,1-2H3

InChI Key

NZVQTZHEGBMVOZ-UHFFFAOYSA-N

Formula

C16H16O2S

SMILES

Cc1cc(C)cc(OC(=O)CSc2ccccc2)c1

Molecular Weight¹

272.36

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• Δ_fusH° : Enthalpy of fusion 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, Enthalpy of formation at standard conditions, Enthalpy of vaporization at standard conditions, 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.

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[566.73; 637.12]	J/mol×K	[756.00; 1003.98]
Cp,gas	566.73	J/mol×K	756.00	Joback Calculated Property
Cp,gas	581.84	J/mol×K	797.33	Joback Calculated Property
Cp,gas	595.54	J/mol×K	838.66	Joback Calculated Property
Cp,gas	607.88	J/mol×K	879.99	Joback Calculated Property
Cp,gas	618.90	J/mol×K	921.32	Joback Calculated Property
Cp,gas	628.63	J/mol×K	962.65	Joback Calculated Property
Cp,gas	637.12	J/mol×K	1003.98	Joback Calculated Property

Similar Compounds

Find more compounds similar to Phenylthioacetic acid, 3,5-dimethylphenyl 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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