Chemical Properties of (E)-1-(4-Methoxy-3-nitrophenyl)ethanone oxime

InChI

InChI=1S/C9H10N2O4/c1-6(10-12)7-3-4-9(15-2)8(5-7)11(13)14/h3-5,12H,1-2H3

InChI Key

MKNWFYYUMNOMMS-UHFFFAOYSA-N

Formula

C9H10N2O4

SMILES

COc1ccc(C(C)=NO)cc1[N+](=O)[O-]

Molecular Weight¹

210.19

• 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).
• T_fus : Normal melting (fusion) point (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
IE	8.71	eV	Relay (1.0) Calculated Property
log10WS	-2.55		Relay (1.0) Calculated Property
logPoct/wat	1.802		Crippen Calculated Property
McVol	148.750	ml/mol	McGowan Calculated Property
Inp	[2089.00; 2089.00]
Inp	2089.00		NIST
Inp	2089.00		NIST
Tboil	587.67	K	Relay (1.0) Calculated Property
Tfus	378.53	K	Relay (1.0) Calculated Property

Cheméo can also estimate 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 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 (E)-1-(4-Methoxy-3-nitrophenyl)ethanone oxime.

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
• Joback Method
• McGowan Method
• NIST Webbook

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