Chemical Properties of mercaptoacetaldehyde (CAS 4124-63-4)

InChI

InChI=1S/C2H4OS/c3-1-2-4/h1,4H,2H2

InChI Key

FLJWVVUJGVNXMZ-UHFFFAOYSA-N

Formula

C2H4OS

SMILES

O=CCS

Molecular Weight¹

76.12

CAS

4124-63-4

Other Names

• Acetaldehyde, mercapto-

• 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_np : Non-polar retention indices.
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ΔfusH°	7.27	kJ/mol	Joback Calculated Property
IE	10.00 ± 0.02	eV	NIST
logPoct/wat	0.115		Crippen Calculated Property
McVol	56.960	ml/mol	McGowan Calculated Property
Inp	[658.00; 660.00]
Inp	660.00		NIST
Inp	660.00		NIST
Inp	658.00		NIST
Inp	658.00		NIST

Cheméo can also estimate Normal Boiling Point Temperature, 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	[85.11; 108.16]	J/mol×K	[356.88; 559.18]
Cp,gas	85.11	J/mol×K	356.88	Joback Calculated Property
Cp,gas	89.40	J/mol×K	390.60	Joback Calculated Property
Cp,gas	93.51	J/mol×K	424.31	Joback Calculated Property
Cp,gas	97.44	J/mol×K	458.03	Joback Calculated Property
Cp,gas	101.18	J/mol×K	491.75	Joback Calculated Property
Cp,gas	104.76	J/mol×K	525.47	Joback Calculated Property
Cp,gas	108.16	J/mol×K	559.18	Joback Calculated Property

Similar Compounds

Find more compounds similar to mercaptoacetaldehyde.

Sources

• 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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