Chemical Properties of methylthioacetaldehyde (CAS 23328-62-3)

InChI

InChI=1S/C3H6OS/c1-5-3-2-4/h2H,3H2,1H3

InChI Key

NCNSBFDGXBKAKB-UHFFFAOYSA-N

Formula

C3H6OS

SMILES

CSCC=O

Molecular Weight¹

90.14

CAS

23328-62-3

Other Names

• 2-[Methylthio]ethanal
• 2-Methylthioacetaldehyde

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• Δ_fusH° : Enthalpy of fusion at standard conditions (kJ/mol).
• IE : Ionization energy (eV).
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• I : 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°	9.94	kJ/mol	Joback Calculated Property
IE	9.01	eV	Relay (1.0) Calculated Property
logPoct/wat	0.548		Crippen Calculated Property
McVol	71.050	ml/mol	McGowan Calculated Property
I	[1250.00; 1293.00]
I	1250.00		NIST
I	1250.00		NIST
I	1267.00		NIST
I	1293.00		NIST
I	1270.00		NIST
I	1267.00		NIST
Tboil	411.20	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, 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	[116.54; 149.61]	J/mol×K	[385.68; 586.99]
Cp,gas	116.54	J/mol×K	385.68	Joback Calculated Property
Cp,gas	122.61	J/mol×K	419.23	Joback Calculated Property
Cp,gas	128.46	J/mol×K	452.78	Joback Calculated Property
Cp,gas	134.09	J/mol×K	486.34	Joback Calculated Property
Cp,gas	139.49	J/mol×K	519.89	Joback Calculated Property
Cp,gas	144.67	J/mol×K	553.44	Joback Calculated Property
Cp,gas	149.61	J/mol×K	586.99	Joback Calculated Property

Similar Compounds

Find more compounds similar to methylthioacetaldehyde.

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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