Chemical Properties of 2-[(2-methyl-3-furyl)dithio]-3-pentanone

InChI

InChI=1S/C10H14O2S2/c1-4-9(11)8(3)13-14-10-5-6-12-7(10)2/h5-6,8H,4H2,1-3H3

InChI Key

WIQYBKGTGUZQOG-UHFFFAOYSA-N

Formula

C10H14O2S2

SMILES

CCC(=O)C(C)SSc1ccoc1C

Molecular Weight¹

230.35

Other Names

• 3-Pentanone, 2-(2-methyl-3-furyldithio)

• 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
logPoct/wat	3.696		Crippen Calculated Property
McVol	172.440	ml/mol	McGowan Calculated Property
Inp	[1571.00; 1596.00]
Inp	1589.00		NIST
Inp	1589.00		NIST
Inp	1596.00		NIST
Inp	1593.00		NIST
Inp	1571.00		NIST
Inp	1571.00		NIST
I	[2222.00; 2265.00]
I	2265.00		NIST
I	2222.00		NIST
I	2265.00		NIST
I	2222.00		NIST

Cheméo can also estimate Normal Boiling Point Temperature, 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, Ionization energy, 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-[(2-methyl-3-furyl)dithio]-3-pentanone.

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

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