Chemical Properties of 2-(Methylthio)methyl-4-methylfuran

InChI

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

InChI Key

OZAURHUZJLENKZ-UHFFFAOYSA-N

Formula

C7H10OS

SMILES

CSCc1cc(C)co1

Molecular Weight¹

142.22

• 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 : 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	0.3767		Relay (1.0) Calculated Property
ΔfG°	11.96	kJ/mol	Relay (1.0-beta) Calculated Property
ΔfH°gas	-92.70	kJ/mol	Relay (1.0) Calculated Property
ΔvapH°	50.78	kJ/mol	Relay (1.0) Calculated Property
IE	8.08	eV	Relay (1.0) Calculated Property
log10WS	-0.95		Relay (1.0) Calculated Property
logPoct/wat	2.451		Crippen Calculated Property
McVol	112.250	ml/mol	McGowan Calculated Property
Pc	3526.94	kPa	Relay (1.0-beta) Calculated Property
I	[1530.00; 1530.00]
I	1530.00		NIST
I	1530.00		NIST
Tboil	462.14	K	Relay (1.0) Calculated Property
Tc	677.40	K	Relay (1.0) Calculated Property
Tfus	259.60	K	Relay (1.0) Calculated Property
Vc	0.407	m3/kmol	Relay (1.0) Calculated Property

Similar Compounds

Find more compounds similar to 2-(Methylthio)methyl-4-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

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