Chemical Properties of 2-furfuryl 2-thienyl trisulfide

InChI

InChI=1S/C9H8OS4/c1-3-8(10-5-1)7-12-14-13-9-4-2-6-11-9/h1-6H,7H2

InChI Key

PCNRBTKPEIVRND-UHFFFAOYSA-N

Formula

C9H8OS4

SMILES

c1coc(CSSSc2cccs2)c1

Molecular Weight¹

260.42

• 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	0.3849		Relay (1.0) Calculated Property
ΔfG°	195.17	kJ/mol	Relay (1.0-beta) Calculated Property
ΔfH°gas	174.58	kJ/mol	Relay (1.0) Calculated Property
ΔvapH°	92.34	kJ/mol	Relay (1.0) Calculated Property
IE	8.31	eV	Relay (1.0) Calculated Property
log10WS	-3.66		Relay (1.0) Calculated Property
logPoct/wat	4.930		Crippen Calculated Property
McVol	170.020	ml/mol	McGowan Calculated Property
Pc	3337.75	kPa	Relay (1.0-beta) Calculated Property
Inp	[1964.00; 1964.00]
Inp	1964.00		NIST
Inp	1964.00		NIST
Tboil	622.19	K	Relay (1.0) Calculated Property
Tc	879.57	K	Relay (1.0) Calculated Property
Tfus	310.71	K	Relay (1.0) Calculated Property
Vc	0.594	m3/kmol	Relay (1.0) Calculated Property

Similar Compounds

Find more compounds similar to 2-furfuryl 2-thienyl trisulfide.

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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