Chemical Properties of Thiophene-2-carboxamide, N-ethyl-N-butyl-

InChI

InChI=1S/C11H17NOS/c1-3-5-8-12(4-2)11(13)10-7-6-9-14-10/h6-7,9H,3-5,8H2,1-2H3

InChI Key

WMDRQQOPXUPAGH-UHFFFAOYSA-N

Formula

C11H17NOS

SMILES

CCCCN(CC)C(=O)c1cccs1

Molecular Weight¹

211.32

• Δ_vapH° : Enthalpy of vaporization 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_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
ΔvapH°	66.52	kJ/mol	Relay (1.0) Calculated Property
IE	8.26	eV	Relay (1.0) Calculated Property
logPoct/wat	3.010		Crippen Calculated Property
McVol	174.290	ml/mol	McGowan Calculated Property
Inp	[1900.00; 1900.00]
Inp	1900.00		NIST
Inp	1900.00		NIST
Tboil	574.08	K	Relay (1.0) Calculated Property
Tfus	273.47	K	Relay (1.0) Calculated Property

Cheméo can also estimate Critical Temperature, Critical Pressure, Critical Volume, Enthalpy of formation 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.

Similar Compounds

Find more compounds similar to Thiophene-2-carboxamide, N-ethyl-N-butyl-.

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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