Chemical Properties of Thiazole, 2-butyl (CAS 37645-61-7)

InChI

InChI=1S/C7H11NS/c1-2-3-4-7-8-5-6-9-7/h5-6H,2-4H2,1H3

InChI Key

QOJMQILDLLFGEE-UHFFFAOYSA-N

Formula

C7H11NS

SMILES

CCCCc1nccs1

Molecular Weight¹

141.23

CAS

37645-61-7

Other Names

• 2-butylthiazole

• IE : Ionization energy (eV).
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• I_np : Non-polar retention indices.
• I : 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
IE	8.96	eV	Relay (1.0) Calculated Property
logPoct/wat	2.486		Crippen Calculated Property
McVol	116.360	ml/mol	McGowan Calculated Property
Inp	[1070.00; 1070.00]
Inp	1070.00		NIST
Inp	1070.00		NIST
I	1480.00		NIST
Tboil	463.09	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, 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.

Similar Compounds

Find more compounds similar to Thiazole, 2-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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