Chemical Properties of 2-methyl-3-(methylthio)furan (CAS 63012-97-5)

InChI

InChI=1S/C6H8OS/c1-5-6(8-2)3-4-7-5/h3-4H,1-2H3

InChI Key

OQVAOEIMSKZGAL-UHFFFAOYSA-N

Formula

C6H8OS

SMILES

CSc1ccoc1C

Molecular Weight¹

128.19

CAS

63012-97-5

Other Names

• Furan, 2-methyl-3-(methylthio)

• 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	0.3032		Relay (1.0) Calculated Property
ΔfG°	6.76	kJ/mol	Relay (1.0-beta) Calculated Property
ΔfH°gas	-80.11	kJ/mol	Relay (1.0) Calculated Property
ΔvapH°	49.44	kJ/mol	Relay (1.0) Calculated Property
IE	8.06	eV	Relay (1.0) Calculated Property
log10WS	-1.81		Relay (1.0) Calculated Property
logPoct/wat	2.310		Crippen Calculated Property
McVol	98.160	ml/mol	McGowan Calculated Property
Pc	4211.53	kPa	Relay (1.0-beta) Calculated Property
Inp	[910.00; 963.00]
Inp	957.00		NIST
Inp	959.00		NIST
Inp	944.00		NIST
Inp	963.00		NIST
Inp	938.00		NIST
Inp	Outlier 910.00		NIST
Inp	947.00		NIST
Inp	925.00		NIST
Inp	933.00		NIST
Inp	947.00		NIST
I	[1329.00; 1383.00]
I	1337.00		NIST
I	1356.00		NIST
I	1338.00		NIST
I	1330.00		NIST
I	1343.00		NIST
I	1329.00		NIST
I	1333.00		NIST
I	Outlier 1383.00		NIST
Tboil	450.87	K	Relay (1.0) Calculated Property
Tc	639.50	K	Relay (1.0) Calculated Property
Tfus	230.23	K	Relay (1.0) Calculated Property
Vc	0.350	m3/kmol	Relay (1.0) Calculated Property

Similar Compounds

Find more compounds similar to 2-methyl-3-(methylthio)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

Note: Cheméo is only indexing the data, follow the source links to retrieve the latest data. The source is also providing more information like the publication year, authors and more. Take the time to validate and double check the source of the data.
Outlier This icon means that the value is more than 2 standard deviations away from the property mean.