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

InChI

InChI=1S/C12H22OS2/c1-10(2)8-14-6-5-12(7-13)15-9-11(3)4/h5,7,10-11H,6,8-9H2,1-4H3/b12-5-

InChI Key

CTBYEASLMKFJPI-XGICHPGQSA-N

Formula

C12H22OS2

SMILES

CC(C)CSCC=C(C=O)SCC(C)C

Molecular Weight¹

246.43

• 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	0.4829		Relay (... Calculated Property
ΔfG°	83.67	kJ/mol	Joback Calculated Property
ΔfH°gas	-255.90	kJ/mol	Relay (... Calculated Property
ΔfusH°	29.23	kJ/mol	Joback Calculated Property
ΔvapH°	74.97	kJ/mol	Relay (... Calculated Property
IE	8.26	eV	Relay (... Calculated Property
log10WS	-4.46		Relay (... Calculated Property
logPoct/wat	3.848		Crippen Calculated Property
McVol	209.910	ml/mol	McGowan Calculated Property
Pc	2086.93	kPa	Joback Calculated Property
I	[2302.00; 2302.00]
I	2302.00		NIST
I	2302.00		NIST
Tboil	570.77	K	Relay (... Calculated Property
Tc	760.39	K	Relay (... Calculated Property
Tfus	256.00	K	Relay (... Calculated Property
Vc	0.716	m3/kmol	Relay (... Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[537.53; 619.84]	J/mol×K	[663.34; 879.58]
Cp,gas	537.53	J/mol×K	663.34	Joback Calculated Property
Cp,gas	553.59	J/mol×K	699.38	Joback Calculated Property
Cp,gas	568.66	J/mol×K	735.42	Joback Calculated Property
Cp,gas	582.79	J/mol×K	771.46	Joback Calculated Property
Cp,gas	596.00	J/mol×K	807.50	Joback Calculated Property
Cp,gas	608.34	J/mol×K	843.54	Joback Calculated Property
Cp,gas	619.84	J/mol×K	879.58	Joback Calculated Property

Similar Compounds

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

Sources

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

Note: Cheméo is only indexing the data, follow the source links to retrieve the latest data. The source is also providing more information like the publication year, authors and more. Take the time to validate and double check the source of the data.