Chemical Properties of Furfuryl sulfide (CAS 13678-67-6)

InChI

InChI=1S/C10H10O2S/c1-3-9(11-5-1)7-13-8-10-4-2-6-12-10/h1-6H,7-8H2

InChI Key

UYLKDZXJEKFFHJ-UHFFFAOYSA-N

Formula

C10H10O2S

SMILES

c1coc(CSCc2ccco2)c1

Molecular Weight¹

194.25

CAS

13678-67-6

Other Names

• Difurfuryl sulfide
• Furan, 2,2'-[thiobis(methylene)]bis-
• 2-([(2-Furylmethyl)sulfanyl]methyl)furan
• 2-Difurfuryl sulfide
• bis(2-Furylmethyl) sulfide
• bis-Furfuryl sulfide
• di-2-Furfuryl sulfide
• 2,2'-[thiobis(methylene)]bisfuran

• 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	0.4540		Relay (1.0) Calculated Property
ΔfG°	46.36	kJ/mol	Relay (1.0-beta) Calculated Property
ΔfH°gas	-52.42	kJ/mol	Relay (1.0) Calculated Property
ΔvapH°	77.74	kJ/mol	Relay (1.0) Calculated Property
IE	8.17	eV	Relay (1.0) Calculated Property
log10WS	-2.13		Relay (1.0) Calculated Property
logPoct/wat	3.306		Crippen Calculated Property
McVol	140.930	ml/mol	McGowan Calculated Property
Pc	3263.10	kPa	Relay (1.0-beta) Calculated Property
Inp	[1416.00; 1468.00]
Inp	1416.00		NIST
Inp	1421.00		NIST
Inp	1421.00		NIST
Inp	1468.00		NIST
Inp	1463.00		NIST
Inp	1468.00		NIST
I	[2178.00; 2223.00]
I	2223.00		NIST
I	2178.00		NIST
Tboil	549.58	K	Relay (1.0) Calculated Property
Tc	779.40	K	Relay (1.0) Calculated Property
Tfus	314.10	K	Relay (1.0) Calculated Property
Vc	0.545	m3/kmol	Relay (1.0) Calculated Property

Similar Compounds

Find more compounds similar to Furfuryl sulfide.

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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