Chemical Properties of 5-Methyl-2,2'-difurfuryl disulfide

InChI

InChI=1S/C11H12O2S2/c1-9-4-5-11(13-9)8-15-14-7-10-3-2-6-12-10/h2-6H,7-8H2,1H3

InChI Key

FASXAMUYOSZLLT-UHFFFAOYSA-N

Formula

C11H12O2S2

SMILES

Cc1ccc(CSSCc2ccco2)o1

Molecular Weight¹

240.34

• 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 : 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	0.5090		Relay (1.0) Calculated Property
ΔfG°	41.92	kJ/mol	Relay (1.0-beta) Calculated Property
ΔfH°gas	-99.37	kJ/mol	Relay (1.0) Calculated Property
ΔvapH°	87.68	kJ/mol	Relay (1.0) Calculated Property
IE	8.29	eV	Relay (1.0) Calculated Property
log10WS	-2.41		Relay (1.0) Calculated Property
logPoct/wat	4.263		Crippen Calculated Property
McVol	171.370	ml/mol	McGowan Calculated Property
Pc	2657.37	kPa	Relay (1.0-beta) Calculated Property
I	[1700.00; 1700.00]
I	1700.00		NIST
I	1700.00		NIST
Tboil	595.10	K	Relay (1.0) Calculated Property
Tc	813.57	K	Relay (1.0) Calculated Property
Tfus	298.77	K	Relay (1.0) Calculated Property
Vc	0.647	m3/kmol	Relay (1.0) Calculated Property

Similar Compounds

Find more compounds similar to 5-Methyl-2,2'-difurfuryl disulfide.

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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