Chemical Properties of «beta»'-Dithiodilactic acid (CAS 4775-93-3)

InChI

InChI=1S/C6H10O4S2/c1-3(5(7)8)11-12-4(2)6(9)10/h3-4H,1-2H3,(H,7,8)(H,9,10)

InChI Key

UTDRPUGFHHVEDG-UHFFFAOYSA-N

Formula

C6H10O4S2

SMILES

CC(SSC(C)C(=O)O)C(=O)O

Molecular Weight¹

210.27

CAS

4775-93-3

Other Names

• 2-(1-hydroxy-1-oxopropan-2-yl)disulfanylpropanoic acid
• «alpha»,«alpha»'-Dithiodipropionic acid

• ω : Acentric Factor.
• Δ_cH°_solid : Standard solid enthalpy of combustion (kJ/mol).
• C_p,gas : Ideal gas heat capacity (J/mol×K).
• C_p,solid : Solid phase heat capacity (J/mol×K).
• 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).
• S°_{solid,1 bar} : Solid phase molar entropy at standard conditions (J/mol×K).
• 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

Cheméo can also estimate Standard Gibbs free energy of formation for this compound, but it falls outside the models' validated range, so it is not shown here. Open the prediction tool to compute it on demand.

Temperature Dependent Properties

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[200.39; 404.69]	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			4.24700e+01
Coefficient B			6.76020e-01
Coefficient C			-3.73800e-04
Coefficient D			6.00000e-08
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	200.39	J/mol×K	273.00	Calculated Property
Cp,gas	237.50	J/mol×K	353.78	Calculated Property
Cp,gas	270.57	J/mol×K	434.56	Calculated Property
Cp,gas	299.79	J/mol×K	515.33	Calculated Property
Cp,gas	325.33	J/mol×K	596.11	Calculated Property
Cp,gas	347.40	J/mol×K	676.89	Calculated Property
Cp,gas	366.18	J/mol×K	757.67	Calculated Property
Cp,gas	381.86	J/mol×K	838.44	Calculated Property
Cp,gas	394.64	J/mol×K	919.22	Calculated Property
Cp,gas	404.69	J/mol×K	1000.00	Calculated Property

Similar Compounds

Find more compounds similar to «beta»'-Dithiodilactic acid.

Sources

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

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