Chemical Properties of 2-Acetyl-3-methylthiophene (CAS 13679-72-6)

InChI

InChI=1S/C7H8OS/c1-5-3-4-9-7(5)6(2)8/h3-4H,1-2H3

InChI Key

YBJDKNXEWQSGEL-UHFFFAOYSA-N

Formula

C7H8OS

SMILES

CC(=O)c1sccc1C

Molecular Weight¹

140.20

CAS

13679-72-6

Other Names

• Ethanone, 1-(3-methyl-2-thienyl)-
• 1-(3-Methyl-2-thienyl)ethanone
• 3-Methyl-2-acetylthiophene
• Thiophene, 2-acetyl-3-methyl
• 1-(3-methyl-2-thienyl)ethan-1-one

• Δ_vapH° : Enthalpy of vaporization at standard conditions (kJ/mol).
• 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.
• I : Polar retention indices.
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ΔvapH°	57.10 ± 2.40	kJ/mol	NIST
log10WS	-2.36		Crippen Calculated Property
logPoct/wat	2.259		Crippen Calculated Property
McVol	107.950	ml/mol	McGowan Calculated Property
Inp	[1137.00; 1194.00]
Inp	1161.00		NIST
Inp	1137.00		NIST
Inp	1186.00		NIST
Inp	1194.00		NIST
Inp	1186.00		NIST
I	[1760.00; 1762.00]
I	1760.00		NIST
I	1761.00		NIST
I	1762.00		NIST
I	1762.00		NIST

Similar Compounds

Find more compounds similar to 2-Acetyl-3-methylthiophene.

Sources

• Crippen Method
• Crippen Method
• McGowan Method
• NIST Webbook

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