Chemical Properties of 2,4-Bis(methylthio)but-2-enal

InChI

InChI=1S/C6H10OS2/c1-8-4-3-6(5-7)9-2/h3,5H,4H2,1-2H3/b6-3-

InChI Key

MOUMLULBENRQGW-UTCJRWHESA-N

Formula

C6H10OS2

SMILES

CSCC=C(C=O)SC

Molecular Weight¹

162.27

• 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).
• 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
ΔfG°	38.03	kJ/mol	Joback Calculated Property
ΔfH°gas	-61.58	kJ/mol	Joback Calculated Property
ΔfusH°	20.74	kJ/mol	Joback Calculated Property
ΔvapH°	49.34	kJ/mol	Joback Calculated Property
log10WS	-1.73		Crippen Calculated Property
logPoct/wat	1.795		Crippen Calculated Property
McVol	125.370	ml/mol	McGowan Calculated Property
Pc	3768.41	kPa	Joback Calculated Property
I	[1815.00; 1815.00]
I	1815.00		NIST
I	1815.00		NIST
Tboil	526.94	K	Joback Calculated Property
Tc	758.26	K	Joback Calculated Property
Tfus	249.14	K	Joback Calculated Property
Vc	0.477	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[251.64; 306.01]	J/mol×K	[526.94; 758.26]
Cp,gas	251.64	J/mol×K	526.94	Joback Calculated Property
Cp,gas	262.22	J/mol×K	565.49	Joback Calculated Property
Cp,gas	272.17	J/mol×K	604.05	Joback Calculated Property
Cp,gas	281.51	J/mol×K	642.60	Joback Calculated Property
Cp,gas	290.25	J/mol×K	681.15	Joback Calculated Property
Cp,gas	298.41	J/mol×K	719.70	Joback Calculated Property
Cp,gas	306.01	J/mol×K	758.26	Joback Calculated Property

Similar Compounds

Find more compounds similar to 2,4-Bis(methylthio)but-2-enal.

Sources

• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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