Chemical Properties of 2-[(methyltrithio)methyl]furan

InChI

InChI=1S/C6H8OS3/c1-8-10-9-5-6-3-2-4-7-6/h2-4H,5H2,1H3

InChI Key

ORKOECRFEGYATC-UHFFFAOYSA-N

Formula

C6H8OS3

SMILES

CSSSCc1ccco1

Molecular Weight¹

192.32

Other Names

• 2-furfuryl methyl trisulfide

• 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.
• 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	0.3509		Relay (1.0) Calculated Property
ΔfG°	95.68	kJ/mol	Relay (1.0-beta) Calculated Property
ΔfH°gas	6.20	kJ/mol	Relay (1.0) Calculated Property
ΔvapH°	70.32	kJ/mol	Relay (1.0) Calculated Property
IE	8.40	eV	Relay (1.0) Calculated Property
log10WS	-1.78		Relay (1.0) Calculated Property
logPoct/wat	3.439		Crippen Calculated Property
McVol	130.860	ml/mol	McGowan Calculated Property
Pc	3512.38	kPa	Relay (1.0-beta) Calculated Property
Inp	[1472.00; 1490.00]
Inp	1475.00		NIST
Inp	1472.00		NIST
Inp	1490.00		NIST
Tboil	544.59	K	Relay (1.0) Calculated Property
Tc	791.91	K	Relay (1.0) Calculated Property
Tfus	285.00	K	Relay (1.0) Calculated Property
Vc	0.452	m3/kmol	Relay (1.0) Calculated Property

Similar Compounds

Find more compounds similar to 2-[(methyltrithio)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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