Chemical Properties of 2-Methyl-4,5-dihydro-3-furanthiol

InChI

InChI=1S/C5H8OS/c1-4-5(7)2-3-6-4/h7H,2-3H2,1H3

InChI Key

IHRSRTFITLMUQC-UHFFFAOYSA-N

Formula

C5H8OS

SMILES

CC1=C(S)CCO1

Molecular Weight¹

116.18

Other Names

• Furan-3-thiol, 4,5-dihydro-2-methyl
• 2-Methyl-4,5(2H)-Furanthiol-3

• ω : Acentric Factor.
• C_p,gas : Ideal gas heat capacity (J/mol×K).
• Δ_fG° : Standard Gibbs free energy of formation (kJ/mol).
• Δ_fH°_gas : Enthalpy of formation at standard conditions (kJ/mol).
• Δ_fusH° : Enthalpy of fusion 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	0.2761		Relay (1.0) Calculated Property
ΔfG°	-10.55	kJ/mol	Joback Calculated Property
ΔfH°gas	-83.81	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	14.03	kJ/mol	Joback Calculated Property
ΔvapH°	47.36	kJ/mol	Relay (1.0) Calculated Property
IE	7.93	eV	Relay (1.0) Calculated Property
log10WS	-1.54		Relay (1.0) Calculated Property
logPoct/wat	1.568		Crippen Calculated Property
McVol	88.370	ml/mol	McGowan Calculated Property
Pc	4931.51	kPa	Joback Calculated Property
Inp	[919.00; 966.00]
Inp	919.00		NIST
Inp	927.00		NIST
Inp	919.00		NIST
Inp	966.00		NIST
Inp	966.00		NIST
Tboil	429.61	K	Relay (1.0) Calculated Property
Tc	676.48	K	Relay (1.0) Calculated Property
Tfus	235.19	K	Relay (1.0) Calculated Property
Vc	0.297	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[161.59; 214.15]	J/mol×K	[432.68; 664.40]
Cp,gas	161.59	J/mol×K	432.68	Joback Calculated Property
Cp,gas	171.74	J/mol×K	471.30	Joback Calculated Property
Cp,gas	181.31	J/mol×K	509.92	Joback Calculated Property
Cp,gas	190.31	J/mol×K	548.54	Joback Calculated Property
Cp,gas	198.77	J/mol×K	587.16	Joback Calculated Property
Cp,gas	206.71	J/mol×K	625.78	Joback Calculated Property
Cp,gas	214.15	J/mol×K	664.40	Joback Calculated Property

Similar Compounds

Find more compounds similar to 2-Methyl-4,5-dihydro-3-furanthiol.

Sources

• Cheméo Relay (1.0)
• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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