Chemical Properties of 2-ACETYL-5-METHYLFURAN

InChI

InChI=1S/C7H8O2/c1-5-3-4-7(9-5)6(2)8/h3-4H,1-2H3

InChI Key

KEFJLCGVTHRGAH-UHFFFAOYSA-N

Formula

C7H8O2

SMILES

CC(=O)c1ccc(C)o1

Molecular Weight¹

124.14

Other Names

• Ethanone, 1-(5-methyl-2-furanyl)-
• Furan, 2-acetyl-5-methyl-
• 5-Methyl-2-acetylfuran
• Ketone, methyl 5-methyl-2-furyl
• 2-Methyl-5-acetylfuran
• 5-Acetyl-2-methylfuran
• 2-Acetyl, 5-mefuran
• 1-(5-methyl-2-furyl)ethan-1-one

• Δ_vapH° : Enthalpy of vaporization at standard conditions (kJ/mol).
• 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).
• T_fus : Normal melting (fusion) point (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ΔvapH°	54.81	kJ/mol	Relay (1.0) Calculated Property
IE	8.78	eV	Relay (1.0) Calculated Property
logPoct/wat	1.791		Crippen Calculated Property
McVol	97.470	ml/mol	McGowan Calculated Property
Inp	[975.00; 1054.00]
Inp	1010.00		NIST
Inp	1042.00		NIST
Inp	1004.00		NIST
Inp	977.00		NIST
Inp	1054.00		NIST
Inp	985.00		NIST
Inp	1007.00		NIST
Inp	977.00		NIST
Inp	1011.00		NIST
Inp	975.00		NIST
Inp	1019.00		NIST
Inp	1048.00		NIST
Inp	1037.00		NIST
Inp	1039.00		NIST
Inp	987.00		NIST
Inp	1000.00		NIST
Inp	999.00		NIST
Inp	1038.80		NIST
Inp	991.00		NIST
Inp	1042.00		NIST
Inp	1043.00		NIST
Inp	1040.00		NIST
Inp	1010.00		NIST
Inp	1013.00		NIST
Inp	1037.00		NIST
Inp	1038.80		NIST
Inp	1042.00		NIST
Inp	1007.00		NIST
I	[1571.00; 1653.00]
I	1571.00		NIST
I	1571.00		NIST
I	1620.00		NIST
I	1620.00		NIST
I	1608.00		NIST
I	1595.00		NIST
I	1622.00		NIST
I	1602.00		NIST
I	1602.00		NIST
I	1603.00		NIST
I	1603.00		NIST
I	1605.00		NIST
I	1606.00		NIST
I	1653.00		NIST
I	1618.00		NIST
I	1653.00		NIST
I	1593.00		NIST
I	1650.00		NIST
I	1650.00		NIST
I	1608.00		NIST
I	1577.00		NIST
I	1601.00		NIST
I	1597.00		NIST
I	1600.00		NIST
I	1609.00		NIST
I	1653.00		NIST
I	1650.00		NIST
I	1571.00		NIST
I	1595.00		NIST
I	1601.00		NIST
Tboil	462.80	K	Relay (1.0) Calculated Property
Tfus	302.39	K	Relay (1.0) Calculated Property

Cheméo can also estimate Critical Temperature, Critical Pressure, Critical Volume, Enthalpy of formation 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 2-ACETYL-5-METHYLFURAN.

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.