Chemical Properties of 2-(Methylthiomethyl)ethanal

InChI

InChI=1S/C4H8OS2/c1-6-4-7-3-2-5/h2H,3-4H2,1H3

InChI Key

BZVKQCXTDPCULV-UHFFFAOYSA-N

Formula

C4H8OS2

SMILES

CSCSCC=O

Molecular Weight¹

136.24

• 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	0.3291		Relay (1.0) Calculated Property
ΔfG°	-50.48	kJ/mol	Joback Calculated Property
ΔfH°gas	-134.98	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	16.67	kJ/mol	Joback Calculated Property
ΔvapH°	57.92	kJ/mol	Relay (1.0) Calculated Property
IE	8.92	eV	Relay (1.0) Calculated Property
log10WS	-0.40		Relay (1.0) Calculated Property
logPoct/wat	1.239		Crippen Calculated Property
McVol	101.490	ml/mol	McGowan Calculated Property
Pc	4480.21	kPa	Joback Calculated Property
I	[1915.00; 1915.00]
I	1915.00		NIST
I	1915.00		NIST
Tboil	498.45	K	Relay (1.0) Calculated Property
Tc	740.93	K	Relay (1.0) Calculated Property
Tfus	270.33	K	Relay (1.0) Calculated Property
Vc	0.333	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[188.97; 233.67]	J/mol×K	[477.14; 700.94]
Cp,gas	188.97	J/mol×K	477.14	Joback Calculated Property
Cp,gas	197.41	J/mol×K	514.44	Joback Calculated Property
Cp,gas	205.46	J/mol×K	551.74	Joback Calculated Property
Cp,gas	213.12	J/mol×K	589.04	Joback Calculated Property
Cp,gas	220.38	J/mol×K	626.34	Joback Calculated Property
Cp,gas	227.23	J/mol×K	663.64	Joback Calculated Property
Cp,gas	233.67	J/mol×K	700.94	Joback Calculated Property

Similar Compounds

Find more compounds similar to 2-(Methylthiomethyl)ethanal.

Sources

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

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