Chemical Properties of 2-Methyl-3-(methyldithio)furan

InChI

InChI=1S/C6H8OS2/c1-5-6(9-8-2)3-4-7-5/h3-4H,1-2H3

InChI Key

SRUTWBWLFKSTIS-UHFFFAOYSA-N

Formula

C6H8OS2

SMILES

CSSc1ccoc1C

Molecular Weight¹

160.26

Other Names

• 2-methyl-3-methyldithio-furane
• Methyl 2-methyl-3-furyl disulfide
• Furan, 2-methyl-3-(methyldithio)
• (2-Methylfuryl-3)methyl disulfide

• 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	0.3193		Relay (1.0) Calculated Property
ΔfG°	41.40	kJ/mol	Relay (1.0-beta) Calculated Property
ΔfH°gas	-59.57	kJ/mol	Relay (1.0) Calculated Property
ΔvapH°	57.97	kJ/mol	Relay (1.0) Calculated Property
IE	8.29	eV	Relay (1.0) Calculated Property
log10WS	-2.05		Relay (1.0) Calculated Property
logPoct/wat	2.958		Crippen Calculated Property
McVol	114.510	ml/mol	McGowan Calculated Property
Pc	3744.55	kPa	Relay (1.0-beta) Calculated Property
Inp	[1137.00; 1185.00]
Inp	1166.00		NIST
Inp	1170.00		NIST
Inp	1147.00		NIST
Inp	1153.00		NIST
Inp	1169.00		NIST
Inp	1168.00		NIST
Inp	1172.00		NIST
Inp	1178.00		NIST
Inp	1169.00		NIST
Inp	1165.00		NIST
Inp	1170.00		NIST
Inp	1185.00		NIST
Inp	1150.00		NIST
Inp	1170.00		NIST
Inp	1172.00		NIST
Inp	Outlier 1137.00		NIST
Inp	1155.00		NIST
Inp	1185.00		NIST
Inp	1147.00		NIST
Inp	1178.00		NIST
I	[1615.00; 1670.00]
I	1668.00		NIST
I	Outlier 1615.00		NIST
I	1651.00		NIST
I	1654.00		NIST
I	1669.00		NIST
I	1667.00		NIST
I	1666.00		NIST
I	1663.00		NIST
I	1667.00		NIST
I	1655.00		NIST
I	1670.00		NIST
I	1651.00		NIST
I	1668.00		NIST
I	1667.00		NIST
I	1651.00		NIST
I	1668.00		NIST
Tboil	500.71	K	Relay (1.0) Calculated Property
Tc	704.19	K	Relay (1.0) Calculated Property
Tfus	270.57	K	Relay (1.0) Calculated Property
Vc	0.397	m3/kmol	Relay (1.0) Calculated Property

Similar Compounds

Find more compounds similar to 2-Methyl-3-(methyldithio)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.