Chemical Properties of 2-methyl-5-[(methylthio)methyl]furan (CAS 13679-60-2)

InChI

InChI=1S/C7H10OS/c1-6-3-4-7(8-6)5-9-2/h3-4H,5H2,1-2H3

InChI Key

WFHOSUSADRVYLU-UHFFFAOYSA-N

Formula

C7H10OS

SMILES

CSCc1ccc(C)o1

Molecular Weight¹

142.22

CAS

13679-60-2

• ω : Acentric Factor.
• Δ_fG° : Standard Gibbs free energy of formation (kJ/mol).
• 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).
• log₁₀WS : Log10 of Water solubility in mol/l.
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• P_c : Critical Pressure (kPa).
• I_np : Non-polar retention indices.
• I : Polar retention indices.
• T_boil : Normal Boiling Point Temperature (K).
• T_c : Critical Temperature (K).
• T_fus : Normal melting (fusion) point (K).
• V_c : Critical Volume (m³/kmol).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ω	0.3817		Relay (1.0) Calculated Property
ΔfG°	-6.83	kJ/mol	Relay (1.0-beta) Calculated Property
ΔfH°gas	-122.07	kJ/mol	Relay (1.0) Calculated Property
ΔvapH°	51.51	kJ/mol	Relay (1.0) Calculated Property
IE	7.97	eV	Relay (1.0) Calculated Property
log10WS	-0.85		Relay (1.0) Calculated Property
logPoct/wat	2.451		Crippen Calculated Property
McVol	112.250	ml/mol	McGowan Calculated Property
Pc	3467.81	kPa	Relay (1.0-beta) Calculated Property
Inp	[1080.00; 1080.00]
Inp	1080.00		NIST
Inp	1080.00		NIST
I	[1531.00; 1531.00]
I	1531.00		NIST
I	1531.00		NIST
Tboil	460.47	K	Relay (1.0) Calculated Property
Tc	669.27	K	Relay (1.0) Calculated Property
Tfus	253.88	K	Relay (1.0) Calculated Property
Vc	0.409	m3/kmol	Relay (1.0) Calculated Property

Similar Compounds

Find more compounds similar to 2-methyl-5-[(methylthio)methyl]furan.

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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