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

InChI

InChI=1S/C14H26OS2/c1-12(2)5-8-16-9-7-14(11-15)17-10-6-13(3)4/h7,11-13H,5-6,8-10H2,1-4H3/b14-7-

InChI Key

SIJYUHKHBDTLPC-AUWJEWJLSA-N

Formula

C14H26OS2

SMILES

CC(C)CCSCC=C(C=O)SCCC(C)C

Molecular Weight¹

274.49

• 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	0.5612		Relay (1.0) Calculated Property
ΔfG°	100.51	kJ/mol	Joback Calculated Property
ΔfH°gas	-294.08	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	34.41	kJ/mol	Joback Calculated Property
ΔvapH°	82.96	kJ/mol	Relay (1.0) Calculated Property
IE	8.31	eV	Relay (1.0) Calculated Property
log10WS	-5.00		Relay (1.0) Calculated Property
logPoct/wat	4.628		Crippen Calculated Property
McVol	238.090	ml/mol	McGowan Calculated Property
Pc	1763.93	kPa	Joback Calculated Property
I	[2523.00; 2523.00]
I	2523.00		NIST
I	2523.00		NIST
Tboil	596.57	K	Relay (1.0) Calculated Property
Tc	785.60	K	Relay (1.0) Calculated Property
Tfus	265.08	K	Relay (1.0) Calculated Property
Vc	0.813	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[644.44; 730.85]	J/mol×K	[709.10; 918.94]
Cp,gas	644.44	J/mol×K	709.10	Joback Calculated Property
Cp,gas	661.26	J/mol×K	744.07	Joback Calculated Property
Cp,gas	677.07	J/mol×K	779.05	Joback Calculated Property
Cp,gas	691.89	J/mol×K	814.02	Joback Calculated Property
Cp,gas	705.77	J/mol×K	848.99	Joback Calculated Property
Cp,gas	718.75	J/mol×K	883.97	Joback Calculated Property
Cp,gas	730.85	J/mol×K	918.94	Joback Calculated Property

Similar Compounds

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

Sources

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

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