Chemical Properties of Furan, 2-[(ethylthio)methyl]- (CAS 2024-70-6)

InChI

InChI=1S/C7H10OS/c1-2-9-6-7-4-3-5-8-7/h3-5H,2,6H2,1H3

InChI Key

WGQJSONNMGREEA-UHFFFAOYSA-N

Formula

C7H10OS

SMILES

CCSCc1ccco1

Molecular Weight¹

142.22

CAS

2024-70-6

Other Names

• (Furfurylthio)ethane
• Furfuryl ethyl sulfide
• 2-[(Ethylsulfanyl)methyl]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.
• 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	0.3389		Relay (1.0) Calculated Property
ΔfG°	17.94	kJ/mol	Relay (1.0-beta) Calculated Property
ΔfH°gas	-70.68	kJ/mol	Relay (1.0) Calculated Property
ΔvapH°	52.01	kJ/mol	Relay (1.0) Calculated Property
IE	8.16	eV	Relay (1.0) Calculated Property
log10WS	-1.14		Relay (1.0) Calculated Property
logPoct/wat	2.533		Crippen Calculated Property
McVol	112.250	ml/mol	McGowan Calculated Property
Pc	3318.34	kPa	Relay (1.0-beta) Calculated Property
Inp	[1058.00; 1069.00]
Inp	1058.00		NIST
Inp	1069.00		NIST
Inp	1058.00		NIST
I	1526.00		NIST
Tboil	464.31	K	Relay (1.0) Calculated Property
Tc	664.01	K	Relay (1.0) Calculated Property
Tfus	221.54	K	Relay (1.0) Calculated Property
Vc	0.406	m3/kmol	Relay (1.0) Calculated Property

Similar Compounds

Find more compounds similar to Furan, 2-[(ethylthio)methyl]-.

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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