Chemical Properties of Furan, 2-[[(1-methylethyl)thio]methyl]- (CAS 1883-78-9)

InChI

InChI=1S/C8H12OS/c1-7(2)10-6-8-4-3-5-9-8/h3-5,7H,6H2,1-2H3

InChI Key

WCHRNAKORAINOJ-UHFFFAOYSA-N

Formula

C8H12OS

SMILES

CC(C)SCc1ccco1

Molecular Weight¹

156.25

CAS

1883-78-9

Other Names

• Furan, 2-[(isopropylthio)methyl]-
• Isopropyl furfuryl sulfide
• 2-[[(1-Methylethyl)thio]methyl]furan
• Furfuryl isopropyl sulfide
• 2-(propan-2-ylsulfanylmethyl)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	0.3486		Relay (1.0) Calculated Property
ΔfG°	14.54	kJ/mol	Relay (1.0-beta) Calculated Property
ΔfH°gas	-102.59	kJ/mol	Relay (1.0) Calculated Property
ΔvapH°	53.65	kJ/mol	Relay (1.0) Calculated Property
IE	8.08	eV	Relay (1.0) Calculated Property
log10WS	-1.44		Relay (1.0) Calculated Property
logPoct/wat	2.921		Crippen Calculated Property
McVol	126.340	ml/mol	McGowan Calculated Property
Pc	3007.45	kPa	Relay (1.0-beta) Calculated Property
Inp	[1105.00; 1119.00]
Inp	1113.00		NIST
Inp	1116.00		NIST
Inp	1119.00		NIST
Inp	1106.00		NIST
Inp	1110.00		NIST
Inp	1105.00		NIST
Tboil	469.65	K	Relay (1.0) Calculated Property
Tc	669.16	K	Relay (1.0) Calculated Property
Tfus	232.60	K	Relay (1.0) Calculated Property
Vc	0.459	m3/kmol	Relay (1.0) Calculated Property

Similar Compounds

Find more compounds similar to Furan, 2-[[(1-methylethyl)thio]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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