Chemical Properties of 2,3-Dihydro-5-methyl-4-[(2-methyl-3-furyl)dithio]furan

InChI

InChI=1S/C10H12O2S2/c1-7-9(3-5-11-7)13-14-10-4-6-12-8(10)2/h3,5H,4,6H2,1-2H3

InChI Key

XHMKUMOVGFTUCW-UHFFFAOYSA-N

Formula

C10H12O2S2

SMILES

CC1=C(SSc2ccoc2C)CCO1

Molecular Weight¹

228.33

Other Names

• (2-Methylfuryl-3)-(2-methyl-4,5-dihydrofuryl) 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.
• 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	0.3787		Relay (1.0) Calculated Property
ΔfG°	8.41	kJ/mol	Relay (1.0-beta) Calculated Property
ΔfH°gas	-129.80	kJ/mol	Relay (1.0) Calculated Property
ΔvapH°	73.68	kJ/mol	Relay (1.0) Calculated Property
IE	7.57	eV	Relay (1.0) Calculated Property
log10WS	-3.06		Relay (1.0) Calculated Property
logPoct/wat	3.980		Crippen Calculated Property
McVol	161.580	ml/mol	McGowan Calculated Property
Pc	2662.48	kPa	Relay (1.0-beta) Calculated Property
Inp	[1544.00; 1587.00]
Inp	1587.00		NIST
Inp	1544.00		NIST
Inp	1544.00		NIST
Inp	1587.00		NIST
Tboil	585.20	K	Relay (1.0) Calculated Property
Tc	792.93	K	Relay (1.0) Calculated Property
Tfus	282.81	K	Relay (1.0) Calculated Property
Vc	0.579	m3/kmol	Relay (1.0) Calculated Property

Similar Compounds

Find more compounds similar to 2,3-Dihydro-5-methyl-4-[(2-methyl-3-furyl)dithio]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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