Chemical Properties of 2,4,5-Trithiahexane, 3-(2-methylpropyl) (CAS 69078-82-6)

InChI

InChI=1S/C7H16S3/c1-6(2)5-7(8-3)10-9-4/h6-7H,5H2,1-4H3

InChI Key

LJIWXNLJDUSJOD-UHFFFAOYSA-N

Formula

C7H16S3

SMILES

CSSC(CC(C)C)SC

Molecular Weight¹

196.40

CAS

69078-82-6

• 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	[347.43; 422.86]	J/mol×K	[565.02; 804.77]
Cp,gas	347.43	J/mol×K	565.02	Joback Calculated Property
Cp,gas	362.12	J/mol×K	604.98	Joback Calculated Property
Cp,gas	375.97	J/mol×K	644.94	Joback Calculated Property
Cp,gas	388.98	J/mol×K	684.90	Joback Calculated Property
Cp,gas	401.13	J/mol×K	724.85	Joback Calculated Property
Cp,gas	412.42	J/mol×K	764.81	Joback Calculated Property
Cp,gas	422.86	J/mol×K	804.77	Joback Calculated Property

Similar Compounds

Find more compounds similar to 2,4,5-Trithiahexane, 3-(2-methylpropyl).

Sources

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

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