Chemical Properties of 2-Methyl-3-[(2-methylbutyl)-thio]-furan

InChI

InChI=1S/C10H16OS/c1-4-8(2)7-12-10-5-6-11-9(10)3/h5-6,8H,4,7H2,1-3H3

InChI Key

BPCVNFWIMVTFOL-UHFFFAOYSA-N

Formula

C10H16OS

SMILES

CCC(C)CSc1ccoc1C

Molecular Weight¹

184.30

• 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	0.4030		Relay (1.0) Calculated Property
ΔfG°	14.76	kJ/mol	Relay (1.0-beta) Calculated Property
ΔfH°gas	-167.37	kJ/mol	Relay (1.0) Calculated Property
ΔvapH°	60.62	kJ/mol	Relay (1.0) Calculated Property
IE	7.83	eV	Relay (1.0) Calculated Property
log10WS	-3.79		Relay (1.0) Calculated Property
logPoct/wat	3.726		Crippen Calculated Property
McVol	154.520	ml/mol	McGowan Calculated Property
Pc	2676.20	kPa	Relay (1.0-beta) Calculated Property
Inp	[1250.00; 1251.00]
Inp	1250.00		NIST
Inp	1251.00		NIST
Inp	1250.00		NIST
Tboil	513.32	K	Relay (1.0) Calculated Property
Tc	692.40	K	Relay (1.0) Calculated Property
Tfus	227.12	K	Relay (1.0) Calculated Property
Vc	0.552	m3/kmol	Relay (1.0) Calculated Property

Similar Compounds

Find more compounds similar to 2-Methyl-3-[(2-methylbutyl)-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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