Chemical Properties of Propanal, 2-methylthio

InChI

InChI=1S/C4H8OS/c1-4(3-5)6-2/h3-4H,1-2H3

InChI Key

DNOUKPGPAUUCPC-UHFFFAOYSA-N

Formula

C4H8OS

SMILES

CSC(C)C=O

Molecular Weight¹

104.17

Other Names

• 2-methylmercapto-propionaldehyde

• 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).
• 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.
• 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	0.2934		Relay (1.0) Calculated Property
ΔfG°	-86.04	kJ/mol	Joback Calculated Property
ΔfH°gas	-189.54	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	9.01	kJ/mol	Joback Calculated Property
ΔvapH°	45.05	kJ/mol	Relay (1.0) Calculated Property
IE	8.73	eV	Relay (1.0) Calculated Property
logPoct/wat	0.937		Crippen Calculated Property
McVol	85.140	ml/mol	McGowan Calculated Property
Pc	4426.72	kPa	Joback Calculated Property
Inp	[825.00; 885.00]
Inp	866.00		NIST
Inp	885.00		NIST
Inp	866.00		NIST
Inp	825.00		NIST
Inp	825.00		NIST
Inp	885.00		NIST
I	[1426.00; 1426.00]
I	1426.00		NIST
I	1426.00		NIST
Tboil	410.68	K	Relay (1.0) Calculated Property
Tc	624.68	K	Relay (1.0) Calculated Property
Tfus	232.69	K	Relay (1.0) Calculated Property
Vc	0.300	m3/kmol	Relay (1.0) Calculated Property

Cheméo can also estimate Log10 of Water solubility in mol/l for this compound, but it falls outside the models' validated range, so it is not shown here. Open the prediction tool to compute it on demand.

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[150.40; 193.48]	J/mol×K	[408.12; 612.62]
Cp,gas	150.40	J/mol×K	408.12	Joback Calculated Property
Cp,gas	158.40	J/mol×K	442.20	Joback Calculated Property
Cp,gas	166.07	J/mol×K	476.29	Joback Calculated Property
Cp,gas	173.41	J/mol×K	510.37	Joback Calculated Property
Cp,gas	180.42	J/mol×K	544.46	Joback Calculated Property
Cp,gas	187.11	J/mol×K	578.54	Joback Calculated Property
Cp,gas	193.48	J/mol×K	612.62	Joback Calculated Property

Similar Compounds

Find more compounds similar to Propanal, 2-methylthio.

Sources

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

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