Chemical Properties of Butanoic acid, 4-(methylthio)- (CAS 32391-97-2)

InChI

InChI=1S/C5H10O2S/c1-8-4-2-3-5(6)7/h2-4H2,1H3,(H,6,7)

InChI Key

VDSUAILXEZKWIZ-UHFFFAOYSA-N

Formula

C5H10O2S

SMILES

CSCCCC(=O)O

Molecular Weight¹

134.20

CAS

32391-97-2

Other Names

• 4-methylthiobutanoic acid

• 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°	-241.40	kJ/mol	Joback Calculated Property
ΔfH°gas	-369.47	kJ/mol	Joback Calculated Property
ΔfusH°	18.52	kJ/mol	Joback Calculated Property
ΔvapH°	56.97	kJ/mol	Joback Calculated Property
log10WS	-0.90		Crippen Calculated Property
logPoct/wat	1.214		Crippen Calculated Property
McVol	105.100	ml/mol	McGowan Calculated Property
Pc	4294.29	kPa	Joback Calculated Property
I	[2384.00; 2384.00]
I	2384.00		NIST
I	2384.00		NIST
Tboil	528.63	K	Joback Calculated Property
Tc	720.17	K	Joback Calculated Property
Tfus	291.26	K	Joback Calculated Property
Vc	0.395	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[225.69; 269.77]	J/mol×K	[528.63; 720.17]
Cp,gas	225.69	J/mol×K	528.63	Joback Calculated Property
Cp,gas	233.96	J/mol×K	560.55	Joback Calculated Property
Cp,gas	241.86	J/mol×K	592.48	Joback Calculated Property
Cp,gas	249.38	J/mol×K	624.40	Joback Calculated Property
Cp,gas	256.54	J/mol×K	656.32	Joback Calculated Property
Cp,gas	263.34	J/mol×K	688.25	Joback Calculated Property
Cp,gas	269.77	J/mol×K	720.17	Joback Calculated Property

Similar Compounds

Find more compounds similar to Butanoic acid, 4-(methylthio)-.

Sources

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

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