Chemical Properties of 4-(Ethylthio)butric acid (CAS 71057-15-3)

InChI

InChI=1S/C6H12O2S/c1-2-9-5-3-4-6(7)8/h2-5H2,1H3,(H,7,8)

InChI Key

DBNZPPFTPCELJG-UHFFFAOYSA-N

Formula

C6H12O2S

SMILES

CCSCCCC(=O)O

Molecular Weight¹

148.22

CAS

71057-15-3

• 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).
• 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

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[166.89; 366.24]	J/mol×K	[273.00; 1000.00]	Joback Predicted correlation
Equation			Y = A + B·T + C·T² + D·T³ + E·T⁴ Y is Cp,gas in J/mol×K, T in K
Coefficient A			2.16340e+01
Coefficient B			6.19010e-01
Coefficient C			-3.35000e-04
Coefficient D			6.06000e-08
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	166.89	J/mol×K	273.00	Calculated Property
Cp,gas	201.38	J/mol×K	353.78	Calculated Property
Cp,gas	232.34	J/mol×K	434.56	Calculated Property
Cp,gas	259.96	J/mol×K	515.33	Calculated Property
Cp,gas	284.43	J/mol×K	596.11	Calculated Property
Cp,gas	305.94	J/mol×K	676.89	Calculated Property
Cp,gas	324.69	J/mol×K	757.67	Calculated Property
Cp,gas	340.86	J/mol×K	838.44	Calculated Property
Cp,gas	354.65	J/mol×K	919.22	Calculated Property
Cp,gas	366.24	J/mol×K	1000.00	Calculated Property

Similar Compounds

Find more compounds similar to 4-(Ethylthio)butric acid.

Sources

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

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