Chemical Properties of Acetamide, 2-(2-thiophenyl)-N-ethyl-N-propyl-

InChI

InChI=1S/C11H17NOS/c1-3-7-12(4-2)11(13)9-10-6-5-8-14-10/h5-6,8H,3-4,7,9H2,1-2H3

InChI Key

UKDJPVNMVXXEOD-UHFFFAOYSA-N

Formula

C11H17NOS

SMILES

CCCN(CC)C(=O)Cc1cccs1

Molecular Weight¹

211.33

• Δ_vapH° : Enthalpy of vaporization 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).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ΔvapH°	67.78	kJ/mol	Relay (1.0) Calculated Property
IE	8.25	eV	Relay (1.0) Calculated Property
log10WS	-1.81		Relay (1.0) Calculated Property
logPoct/wat	2.549		Crippen Calculated Property
McVol	174.290	ml/mol	McGowan Calculated Property
Inp	[1887.00; 1887.00]
Inp	1887.00		NIST
Inp	1887.00		NIST
Tboil	559.29	K	Relay (1.0) Calculated Property

Cheméo can also estimate Normal melting (fusion) point, Critical Temperature, Critical Pressure, Critical Volume, Enthalpy of formation 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.

Similar Compounds

Find more compounds similar to Acetamide, 2-(2-thiophenyl)-N-ethyl-N-propyl-.

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
• McGowan Method
• NIST Webbook

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