Chemical Properties of 2-(4,4-Diethoxybutyl)imidazole

InChI

InChI=1S/C11H20N2O2/c1-3-14-11(15-4-2)7-5-6-10-12-8-9-13-10/h8-9,11H,3-7H2,1-2H3,(H,12,13)

InChI Key

OFETZLLDLPPBJQ-UHFFFAOYSA-N

Formula

C11H20N2O2

SMILES

CCOC(CCCc1ncc[nH]1)OCC

Molecular Weight¹

212.29

• Δ_fH°_gas : Enthalpy of formation at standard conditions (kJ/mol).
• 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
ΔfH°gas	-337.05	kJ/mol	Relay (1.0) Calculated Property
logPoct/wat	1.650		Crippen Calculated Property
McVol	178.090	ml/mol	McGowan Calculated Property
Inp	[1309.00; 1309.00]
Inp	1309.00		NIST
Inp	1309.00		NIST
Tboil	603.09	K	Relay (1.0) Calculated Property

Cheméo can also estimate Normal melting (fusion) point, Critical Temperature, Critical Pressure, Critical Volume, Enthalpy of vaporization at standard conditions, Standard Gibbs free energy of formation, Acentric Factor, Ionization energy, 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 2-(4,4-Diethoxybutyl)imidazole.

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

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.
These property values are available through the Cheméo API. A free account gives you an access key.