Chemical Properties of Propanoic acid, 3-mercapto-2-(mercaptomethyl)- (CAS 7634-96-0)

InChI

InChI=1S/C4H8O2S2/c5-4(6)3(1-7)2-8/h3,7-8H,1-2H2,(H,5,6)

InChI Key

KRHAHEQEKNJCSD-UHFFFAOYSA-N

Formula

C4H8O2S2

SMILES

O=C(O)C(CS)CS

Molecular Weight¹

152.24

CAS

7634-96-0

Other Names

• 3-Mercapto-2-[mercaptomethyl]propionic acid
• Propionic acid, 3-mercapto-2-(mercaptomethyl)-

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• Δ_fusH° : Enthalpy of fusion 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).
• T_boil : Normal Boiling Point Temperature (K).
• T_fus : Normal melting (fusion) point (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Cheméo can also estimate Critical Temperature, Critical Pressure, Critical Volume, Enthalpy of formation at standard conditions, Enthalpy of vaporization at standard conditions, Standard Gibbs free energy of formation, Acentric Factor for this compound, but they fall outside the models' validated range, so they are not shown here. Open the prediction tool to compute them on demand.

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[145.21; 287.75]	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			3.19520e+01
Coefficient B			4.95100e-01
Coefficient C			-3.14400e-04
Coefficient D			7.51000e-08
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	145.21	J/mol×K	273.00	Calculated Property
Cp,gas	171.08	J/mol×K	353.78	Calculated Property
Cp,gas	193.89	J/mol×K	434.56	Calculated Property
Cp,gas	213.88	J/mol×K	515.33	Calculated Property
Cp,gas	231.27	J/mol×K	596.11	Calculated Property
Cp,gas	246.32	J/mol×K	676.89	Calculated Property
Cp,gas	259.25	J/mol×K	757.67	Calculated Property
Cp,gas	270.31	J/mol×K	838.44	Calculated Property
Cp,gas	279.73	J/mol×K	919.22	Calculated Property
Cp,gas	287.75	J/mol×K	1000.00	Calculated Property

Similar Compounds

Find more compounds similar to Propanoic acid, 3-mercapto-2-(mercaptomethyl)-.

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
• Joback Method
• McGowan Method
• NIST Webbook

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