Chemical Properties of 1,3-Bis(methylthio)-2-methoxypropane

InChI

InChI=1S/C6H14OS2/c1-7-6(4-8-2)5-9-3/h6H,4-5H2,1-3H3

InChI Key

MOISORXUYSHXRU-UHFFFAOYSA-N

Formula

C6H14OS2

SMILES

COC(CSC)CSC

Molecular Weight¹

166.31

Other Names

• Propane, 2-methoxy-1,3-bis(methylthio)-
• 2-methoxy-1,3-bis(methylthio)propane

• 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).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Cheméo can also estimate Normal Boiling Point Temperature, Normal melting (fusion) point, 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.

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[188.86; 401.09]	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			6.04520e+01
Coefficient B			5.05340e-01
Coefficient C			-1.14400e-04
Coefficient D			-5.03000e-08
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	188.86	J/mol×K	273.00	Calculated Property
Cp,gas	222.68	J/mol×K	353.78	Calculated Property
Cp,gas	254.32	J/mol×K	434.56	Calculated Property
Cp,gas	283.61	J/mol×K	515.33	Calculated Property
Cp,gas	310.38	J/mol×K	596.11	Calculated Property
Cp,gas	334.50	J/mol×K	676.89	Calculated Property
Cp,gas	355.78	J/mol×K	757.67	Calculated Property
Cp,gas	374.08	J/mol×K	838.44	Calculated Property
Cp,gas	389.24	J/mol×K	919.22	Calculated Property
Cp,gas	401.09	J/mol×K	1000.00	Calculated Property

Similar Compounds

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

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.
Calculated This icon marks a calculated value or equation: a prediction, not a measurement.
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