Chemical Properties of (E)-2-methyl-3-tetrahydrofuranthiol (CAS 26548-78-7)

InChI

InChI=1S/C5H10OS/c1-4-5(7)2-3-6-4/h4-5,7H,2-3H2,1H3

InChI Key

DBPHPBLAKVZXOY-UHFFFAOYSA-N

Formula

C5H10OS

SMILES

CC1OCCC1S

Molecular Weight¹

118.20

CAS

26548-78-7

• 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).
• 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 : 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
ΔfG°	-36.67	kJ/mol	Joback Calculated Property
ΔfH°gas	-199.91	kJ/mol	Joback Calculated Property
ΔfusH°	15.73	kJ/mol	Joback Calculated Property
ΔvapH°	37.92	kJ/mol	Joback Calculated Property
log10WS	-1.19		Crippen Calculated Property
logPoct/wat	1.094		Crippen Calculated Property
McVol	92.670	ml/mol	McGowan Calculated Property
Pc	4468.24	kPa	Joback Calculated Property
I	[1315.00; 1315.00]
I	1315.00		NIST
I	1315.00		NIST
Tboil	414.22	K	Joback Calculated Property
Tc	639.42	K	Joback Calculated Property
Tfus	215.80	K	Joback Calculated Property
Vc	0.331	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[175.61; 245.36]	J/mol×K	[414.22; 639.42]
Cp,gas	175.61	J/mol×K	414.22	Joback Calculated Property
Cp,gas	188.95	J/mol×K	451.75	Joback Calculated Property
Cp,gas	201.58	J/mol×K	489.29	Joback Calculated Property
Cp,gas	213.52	J/mol×K	526.82	Joback Calculated Property
Cp,gas	224.78	J/mol×K	564.36	Joback Calculated Property
Cp,gas	235.39	J/mol×K	601.89	Joback Calculated Property
Cp,gas	245.36	J/mol×K	639.42	Joback Calculated Property

Similar Compounds

Find more compounds similar to (E)-2-methyl-3-tetrahydrofuranthiol.

Sources

• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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