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

• 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°	83.67	kJ/mol	Joback Calculated Property
ΔfH°gas	-195.98	kJ/mol	Joback Calculated Property
ΔfusH°	29.23	kJ/mol	Joback Calculated Property
ΔvapH°	61.92	kJ/mol	Joback Calculated Property
log10WS	-3.76		Crippen 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	663.34	K	Joback Calculated Property
Tc	879.58	K	Joback Calculated Property
Tfus	286.76	K	Joback Calculated Property
Vc	0.801	m3/kmol	Joback 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

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

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