Chemical Properties of Phenylthioacetamide, N-ethyl-N-(3-methylphenyl)-

InChI

InChI=1S/C17H19NOS/c1-3-18(15-9-7-8-14(2)12-15)17(19)13-20-16-10-5-4-6-11-16/h4-12H,3,13H2,1-2H3

InChI Key

WSNRWDFMYUWYCH-UHFFFAOYSA-N

Formula

C17H19NOS

SMILES

CCN(C(=O)CSc1ccccc1)c1cccc(C)c1

Molecular Weight¹

285.40

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• Δ_fusH° : Enthalpy of fusion at standard conditions (kJ/mol).
• IE : Ionization energy (eV).
• 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, 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	[291.09; 709.92]	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			-4.98080e+01
Coefficient B			1.49183e+00
Coefficient C			-9.50060e-04
Coefficient D			2.17960e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	291.09	J/mol×K	273.00	Calculated Property
Cp,gas	368.71	J/mol×K	353.78	Calculated Property
Cp,gas	436.95	J/mol×K	434.56	Calculated Property
Cp,gas	496.50	J/mol×K	515.33	Calculated Property
Cp,gas	548.06	J/mol×K	596.11	Calculated Property
Cp,gas	592.30	J/mol×K	676.89	Calculated Property
Cp,gas	629.91	J/mol×K	757.67	Calculated Property
Cp,gas	661.60	J/mol×K	838.44	Calculated Property
Cp,gas	688.04	J/mol×K	919.22	Calculated Property
Cp,gas	709.92	J/mol×K	1000.00	Calculated Property

Similar Compounds

Find more compounds similar to Phenylthioacetamide, N-ethyl-N-(3-methylphenyl)-.

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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