Chemical Properties of 2,2,4-Trimethyl-1,3-dithiolane (CAS 5862-53-3)

InChI

InChI=1S/C6H12S2/c1-5-4-7-6(2,3)8-5/h5H,4H2,1-3H3

InChI Key

CRVLTUAGMFKJEA-UHFFFAOYSA-N

Formula

C6H12S2

SMILES

CC1CSC(C)(C)S1

Molecular Weight¹

148.29

CAS

5862-53-3

• 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).
• 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).
• I_np : Non-polar retention indices.
• 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

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[227.79; 302.13]	J/mol×K	[443.19; 683.19]
Cp,gas	227.79	J/mol×K	443.19	Joback Calculated Property
Cp,gas	242.75	J/mol×K	483.19	Joback Calculated Property
Cp,gas	256.49	J/mol×K	523.19	Joback Calculated Property
Cp,gas	269.14	J/mol×K	563.19	Joback Calculated Property
Cp,gas	280.87	J/mol×K	603.19	Joback Calculated Property
Cp,gas	291.81	J/mol×K	643.19	Joback Calculated Property
Cp,gas	302.13	J/mol×K	683.19	Joback Calculated Property

Similar Compounds

Find more compounds similar to 2,2,4-Trimethyl-1,3-dithiolane.

Sources

• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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