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

InChI

InChI=1S/C10H18OS2/c1-8(2)12-6-5-10(7-11)13-9(3)4/h5,7-9H,6H2,1-4H3/b10-5-

InChI Key

ZDPDFFMZPRJHCR-YHYXMXQVSA-N

Formula

C10H18OS2

SMILES

CC(C)SCC=C(C=O)SC(C)C

Molecular Weight¹

218.38

• 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°	66.83	kJ/mol	Joback Calculated Property
ΔfH°gas	-154.70	kJ/mol	Joback Calculated Property
ΔfusH°	24.05	kJ/mol	Joback Calculated Property
ΔvapH°	57.47	kJ/mol	Joback Calculated Property
log10WS	-3.63		Crippen Calculated Property
logPoct/wat	3.352		Crippen Calculated Property
McVol	181.730	ml/mol	McGowan Calculated Property
Pc	2507.52	kPa	Joback Calculated Property
I	[2176.00; 2176.00]
I	2176.00		NIST
I	2176.00		NIST
Tboil	617.58	K	Joback Calculated Property
Tc	841.61	K	Joback Calculated Property
Tfus	264.22	K	Joback Calculated Property
Vc	0.690	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[436.05; 512.50]	J/mol×K	[617.58; 841.61]
Cp,gas	436.05	J/mol×K	617.58	Joback Calculated Property
Cp,gas	451.00	J/mol×K	654.92	Joback Calculated Property
Cp,gas	465.03	J/mol×K	692.26	Joback Calculated Property
Cp,gas	478.16	J/mol×K	729.60	Joback Calculated Property
Cp,gas	490.42	J/mol×K	766.94	Joback Calculated Property
Cp,gas	501.86	J/mol×K	804.27	Joback Calculated Property
Cp,gas	512.50	J/mol×K	841.61	Joback Calculated Property

Similar Compounds

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

Sources

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

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