Chemical Properties of 2-methyl-3-[(2-furyl-methyl)thio]furan

InChI

InChI=1S/C10H10O2S/c1-8-10(4-6-11-8)13-7-9-3-2-5-12-9/h2-6H,7H2,1H3

InChI Key

BNWGBSRYEZEHNX-UHFFFAOYSA-N

Formula

C10H10O2S

SMILES

Cc1occc1SCc1ccco1

Molecular Weight¹

194.25

Other Names

• 2-methyl-3-[(2-furanylmethyl)thio]furan

• 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	0.4277		Relay (1.0) Calculated Property
ΔfG°	29.14	kJ/mol	Relay (1.0-beta) Calculated Property
ΔfH°gas	-72.30	kJ/mol	Relay (1.0) Calculated Property
ΔvapH°	74.57	kJ/mol	Relay (1.0) Calculated Property
IE	8.10	eV	Relay (1.0) Calculated Property
log10WS	-2.89		Relay (1.0) Calculated Property
logPoct/wat	3.473		Crippen Calculated Property
McVol	140.930	ml/mol	McGowan Calculated Property
Pc	3315.33	kPa	Relay (1.0-beta) Calculated Property
Inp	[1501.00; 1503.00]
Inp	1503.00		NIST
Inp	1501.00		NIST
Inp	1503.00		NIST
Tboil	551.76	K	Relay (1.0) Calculated Property
Tc	769.49	K	Relay (1.0) Calculated Property
Tfus	293.59	K	Relay (1.0) Calculated Property
Vc	0.544	m3/kmol	Relay (1.0) Calculated Property

Similar Compounds

Find more compounds similar to 2-methyl-3-[(2-furyl-methyl)thio]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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