Chemical Properties of 1-(4-Methyl-4H-[1,3]dithiin-2-yl)-propane-2-thiol

InChI

InChI=1S/C8H14S3/c1-6(9)5-8-10-4-3-7(2)11-8/h3-4,6-9H,5H2,1-2H3

InChI Key

KIZYPBJKLBKTGJ-UHFFFAOYSA-N

Formula

C8H14S3

SMILES

CC(S)CC1SC=CC(C)S1

Molecular Weight¹

206.39

• 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	[346.42; 432.69]	J/mol×K	[554.56; 816.80]
Cp,gas	346.42	J/mol×K	554.56	Joback Calculated Property
Cp,gas	363.71	J/mol×K	598.27	Joback Calculated Property
Cp,gas	379.78	J/mol×K	641.97	Joback Calculated Property
Cp,gas	394.67	J/mol×K	685.68	Joback Calculated Property
Cp,gas	408.42	J/mol×K	729.39	Joback Calculated Property
Cp,gas	421.08	J/mol×K	773.09	Joback Calculated Property
Cp,gas	432.69	J/mol×K	816.80	Joback Calculated Property

Similar Compounds

Find more compounds similar to 1-(4-Methyl-4H-[1,3]dithiin-2-yl)-propane-2-thiol.

Sources

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

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