Chemical Properties of 2-[(methylthio)methyl]-5-(methylthio)-2-pentenal

InChI

InChI=1S/C8H14OS2/c1-10-5-3-4-8(6-9)7-11-2/h4,6H,3,5,7H2,1-2H3/b8-4+

InChI Key

VVZWQNGEMWJSTM-XBXARRHUSA-N

Formula

C8H14OS2

SMILES

CSCC/C=C(\C=O)CSC

Molecular Weight¹

190.33

• 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).
• I_np : Non-polar retention indices.
• T_boil : Normal Boiling Point Temperature (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ΔfusH°	25.92	kJ/mol	Joback Calculated Property
logPoct/wat	2.228		Crippen Calculated Property
McVol	153.550	ml/mol	McGowan Calculated Property
Inp	[1567.00; 1567.00]
Inp	1567.00		NIST
Inp	1567.00		NIST
Tboil	554.78	K	Relay (1.0) Calculated Property

Cheméo can also estimate 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.

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[339.98; 405.36]	J/mol×K	[572.90; 795.81]
Cp,gas	339.98	J/mol×K	572.90	Joback Calculated Property
Cp,gas	352.67	J/mol×K	610.05	Joback Calculated Property
Cp,gas	364.61	J/mol×K	647.20	Joback Calculated Property
Cp,gas	375.83	J/mol×K	684.35	Joback Calculated Property
Cp,gas	386.34	J/mol×K	721.50	Joback Calculated Property
Cp,gas	396.18	J/mol×K	758.66	Joback Calculated Property
Cp,gas	405.36	J/mol×K	795.81	Joback Calculated Property

Similar Compounds

Find more compounds similar to 2-[(methylthio)methyl]-5-(methylthio)-2-pentenal.

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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