Chemical Properties of Furan, 2-[[(1-methylethyl)thio]methyl]-

InChI

InChI=1S/C8H12OS/c1-7(2)10-6-8-4-3-5-9-8/h3-5,7H,6H2,1-2H3

InChI Key

WCHRNAKORAINOJ-UHFFFAOYSA-N

Formula

C8H12OS

SMILES

CC(C)SCc1ccco1

Molecular Weight¹

156.25

Other Names

• Furan, 2-[(isopropylthio)methyl]-
• Isopropyl furfuryl sulfide
• 2-[[(1-Methylethyl)thio]methyl]furan
• Furfuryl isopropyl sulfide
• 2-(propan-2-ylsulfanylmethyl)furan

• Δ_fH°_gas : Enthalpy of formation at standard conditions (kJ/mol).
• 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.
• T_boil : Normal Boiling Point Temperature (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ΔfH°gas	-102.59	kJ/mol	Relay (1.0) Calculated Property
ΔvapH°	54.88	kJ/mol	Relay (1.0) Calculated Property
IE	8.08	eV	Relay (1.0) Calculated Property
logPoct/wat	2.921		Crippen Calculated Property
McVol	126.340	ml/mol	McGowan Calculated Property
Inp	[1105.00; 1119.00]
Inp	1113.00		NIST
Inp	1116.00		NIST
Inp	1119.00		NIST
Inp	1106.00		NIST
Inp	1110.00		NIST
Inp	1105.00		NIST
Tboil	469.65	K	Relay (1.0) Calculated Property

Cheméo can also estimate Normal melting (fusion) point, Critical Temperature, Critical Pressure, Critical Volume, 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 Furan, 2-[[(1-methylethyl)thio]methyl]-.

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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