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

InChI

InChI=1S/C8H14OS2/c1-3-10-6-5-8(7-9)11-4-2/h5,7H,3-4,6H2,1-2H3/b8-5-

InChI Key

BRUDYKVOXQIHKT-YVMONPNESA-N

Formula

C8H14OS2

SMILES

CCSCC=C(C=O)SCC

Molecular Weight¹

190.33

• 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	0.3689		Relay (... Calculated Property
ΔfG°	54.87	kJ/mol	Joback Calculated Property
ΔfH°gas	-129.17	kJ/mol	Relay (... Calculated Property
ΔfusH°	25.92	kJ/mol	Joback Calculated Property
ΔvapH°	66.40	kJ/mol	Relay (... Calculated Property
IE	8.32	eV	Relay (... Calculated Property
log10WS	-2.47		Relay (... Calculated Property
logPoct/wat	2.575		Crippen Calculated Property
McVol	153.550	ml/mol	McGowan Calculated Property
Pc	3015.64	kPa	Joback Calculated Property
I	[1916.00; 1916.00]
I	1916.00		NIST
I	1916.00		NIST
Tboil	539.68	K	Relay (... Calculated Property
Tc	735.97	K	Relay (... Calculated Property
Tfus	256.37	K	Relay (... Calculated Property
Vc	0.512	m3/kmol	Relay (... Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[339.91; 405.29]	J/mol×K	[572.70; 795.53]
Cp,gas	339.91	J/mol×K	572.70	Joback Calculated Property
Cp,gas	352.60	J/mol×K	609.84	Joback Calculated Property
Cp,gas	364.54	J/mol×K	646.98	Joback Calculated Property
Cp,gas	375.76	J/mol×K	684.11	Joback Calculated Property
Cp,gas	386.27	J/mol×K	721.25	Joback Calculated Property
Cp,gas	396.11	J/mol×K	758.39	Joback Calculated Property
Cp,gas	405.29	J/mol×K	795.53	Joback Calculated Property

Similar Compounds

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

Sources

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

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