Chemical Properties of 3-ACETAMIDOFURAN

InChI

InChI=1S/C6H7NO2/c1-5(8)7-6-2-3-9-4-6/h2-4H,1H3,(H,7,8)

InChI Key

MSUYGSATOVDCFI-UHFFFAOYSA-N

Formula

C6H7NO2

SMILES

CC(=O)Nc1ccoc1

Molecular Weight¹

125.13

• 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	8.57	eV	Relay (1.0) Calculated Property
log10WS	-0.75		Relay (1.0) Calculated Property
logPoct/wat	1.238		Crippen Calculated Property
McVol	93.360	ml/mol	McGowan Calculated Property
Inp	[1202.00; 1202.00]
Inp	1202.00		NIST
Inp	1202.00		NIST
Tboil	503.30	K	Relay (1.0) Calculated Property
Tfus	334.75	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 3-ACETAMIDOFURAN.

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.