Chemical Properties of Acetamide, 2-(phenylthio)-N-butyl-N-ethyl-

InChI

InChI=1S/C14H21NOS/c1-3-5-11-15(4-2)14(16)12-17-13-9-7-6-8-10-13/h6-10H,3-5,11-12H2,1-2H3

InChI Key

QISXQGYHBQANEF-UHFFFAOYSA-N

Formula

C14H21NOS

SMILES

CCCCN(CC)C(=O)CSc1ccccc1

Molecular Weight¹

251.39

• 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

Property	Value	Unit	Source
ΔfusH°	34.81	kJ/mol	Joback Calculated Property
IE	8.08	eV	Relay (1.0) Calculated Property
log10WS	-3.09		Relay (1.0) Calculated Property
logPoct/wat	3.427		Crippen Calculated Property
McVol	212.260	ml/mol	McGowan Calculated Property
Inp	[1791.00; 1791.00]
Inp	1791.00		NIST
Inp	1791.00		NIST
Tboil	608.28	K	Relay (1.0) Calculated Property
Tfus	289.11	K	Relay (1.0) Calculated Property

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	[564.79; 648.23]	J/mol×K	[681.69; 896.60]
Cp,gas	564.79	J/mol×K	681.69	Joback Calculated Property
Cp,gas	581.30	J/mol×K	717.51	Joback Calculated Property
Cp,gas	596.70	J/mol×K	753.33	Joback Calculated Property
Cp,gas	611.05	J/mol×K	789.15	Joback Calculated Property
Cp,gas	624.38	J/mol×K	824.96	Joback Calculated Property
Cp,gas	636.76	J/mol×K	860.78	Joback Calculated Property
Cp,gas	648.23	J/mol×K	896.60	Joback Calculated Property

Similar Compounds

Find more compounds similar to Acetamide, 2-(phenylthio)-N-butyl-N-ethyl-.

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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