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

• ω : Acentric Factor.
• 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).
• IE : Ionization energy (eV).
• 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 : 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

Property	Value	Unit	Source
ω	0.2991		Relay (1.0) Calculated Property
ΔfG°	-92.02	kJ/mol	Joback Calculated Property
ΔfH°gas	-156.69	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	9.94	kJ/mol	Joback Calculated Property
ΔvapH°	42.50	kJ/mol	Relay (1.0) Calculated Property
IE	9.01	eV	Relay (1.0) Calculated Property
log10WS	0.53		Relay (1.0) Calculated Property
logPoct/wat	0.548		Crippen Calculated Property
McVol	71.050	ml/mol	McGowan Calculated Property
Pc	4994.44	kPa	Joback Calculated Property
I	[1250.00; 1293.00]
I	1250.00		NIST
I	1267.00		NIST
I	1293.00		NIST
I	1270.00		NIST
I	1250.00		NIST
I	1267.00		NIST
Tboil	411.20	K	Relay (1.0) Calculated Property
Tc	632.73	K	Relay (1.0) Calculated Property
Tfus	232.64	K	Relay (1.0) Calculated Property
Vc	0.241	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[116.50; 149.57]	J/mol×K	[385.48; 586.69]
Cp,gas	116.50	J/mol×K	385.48	Joback Calculated Property
Cp,gas	122.57	J/mol×K	419.01	Joback Calculated Property
Cp,gas	128.42	J/mol×K	452.55	Joback Calculated Property
Cp,gas	134.05	J/mol×K	486.08	Joback Calculated Property
Cp,gas	139.45	J/mol×K	519.62	Joback Calculated Property
Cp,gas	144.62	J/mol×K	553.15	Joback Calculated Property
Cp,gas	149.57	J/mol×K	586.69	Joback Calculated Property

Similar Compounds

Find more compounds similar to methylthioacetaldehyde.

Sources

• Cheméo Relay (1.0)
• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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