Chemical Properties of 1,3-Bis(methylthio)-2-propanol (CAS 31805-83-1)

InChI

InChI=1S/C5H12OS2/c1-7-3-5(6)4-8-2/h5-6H,3-4H2,1-2H3

InChI Key

BTQNSLFPJKRBQK-UHFFFAOYSA-N

Formula

C5H12OS2

SMILES

CSCC(O)CSC

Molecular Weight¹

152.28

CAS

31805-83-1

Other Names

• 1,3-bis(methylthio)propan-2-ol
• 2-Propanol, 1,3-bis(methylthio)-

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• Δ_fusH° : Enthalpy of fusion at standard conditions (kJ/mol).
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• T_boil : Normal Boiling Point Temperature (K).
• T_boilr : Boiling point at reduced pressure (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, Ionization energy, Log10 of Water solubility in mol/l 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.

Pressure Dependent Properties

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[164.74; 349.67]	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			4.11520e+01
Coefficient B			5.07520e-01
Coefficient C			-2.01400e-04
Coefficient D			2.40000e-09
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	164.74	J/mol×K	273.00	Calculated Property
Cp,gas	195.60	J/mol×K	353.78	Calculated Property
Cp,gas	223.86	J/mol×K	434.56	Calculated Property
Cp,gas	249.54	J/mol×K	515.33	Calculated Property
Cp,gas	272.63	J/mol×K	596.11	Calculated Property
Cp,gas	293.15	J/mol×K	676.89	Calculated Property
Cp,gas	311.11	J/mol×K	757.67	Calculated Property
Cp,gas	326.51	J/mol×K	838.44	Calculated Property
Cp,gas	339.36	J/mol×K	919.22	Calculated Property
Cp,gas	349.67	J/mol×K	1000.00	Calculated Property

Similar Compounds

Find more compounds similar to 1,3-Bis(methylthio)-2-propanol.

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

Note: Cheméo is only indexing the data, follow the source links to retrieve the latest data. The source is also providing more information like the publication year, authors and more. Take the time to validate and double check the source of the data.
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