Chemical Properties of Piperazine, 1-(2-methoxyphenyl)-4-acetyl

InChI

InChI=1S/C13H18N2O2/c1-11(16)14-7-9-15(10-8-14)12-5-3-4-6-13(12)17-2/h3-6H,7-10H2,1-2H3

InChI Key

ZKKQCNJWCNXKGN-UHFFFAOYSA-N

Formula

C13H18N2O2

SMILES

COc1ccccc1N1CCN(C(C)=O)CC1

Molecular Weight¹

234.29

• 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).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
IE	8.02	eV	Relay (1.0) Calculated Property
logPoct/wat	1.364		Crippen Calculated Property
McVol	186.810	ml/mol	McGowan Calculated Property
Inp	[2070.00; 2070.00]
Inp	2070.00		NIST
Inp	2070.00		NIST
Tboil	624.96	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 Piperazine, 1-(2-methoxyphenyl)-4-acetyl.

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.
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