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).
• 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_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°	43.50	kJ/mol	Relay (1.0) Calculated Property
IE	8.73	eV	Relay (1.0) Calculated Property
log10WS	0.37		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	825.00		NIST
I	1426.00		NIST
Tboil	410.68	K	Relay (1.0) Calculated Property
Tc	611.00	K	Relay (1.0) Calculated Property
Tfus	238.24	K	Relay (1.0) Calculated Property
Vc	0.294	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[150.36; 193.42]	J/mol×K	[407.92; 612.32]
Cp,gas	150.36	J/mol×K	407.92	Joback Calculated Property
Cp,gas	158.35	J/mol×K	441.99	Joback Calculated Property
Cp,gas	166.02	J/mol×K	476.05	Joback Calculated Property
Cp,gas	173.36	J/mol×K	510.12	Joback Calculated Property
Cp,gas	180.37	J/mol×K	544.19	Joback Calculated Property
Cp,gas	187.06	J/mol×K	578.26	Joback Calculated Property
Cp,gas	193.42	J/mol×K	612.32	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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