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

InChI

InChI=1S/C16H30OS2/c1-3-5-7-9-12-18-14-11-16(15-17)19-13-10-8-6-4-2/h11,15H,3-10,12-14H2,1-2H3/b16-11-

InChI Key

FVAYBXDMKZUFRV-WJDWOHSUSA-N

Formula

C16H30OS2

SMILES

CCCCCCSCC=C(C=O)SCCCCCC

Molecular Weight¹

302.54

• 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	0.7047		Relay (... Calculated Property
ΔfG°	122.23	kJ/mol	Joback Calculated Property
ΔfH°gas	-312.62	kJ/mol	Relay (... Calculated Property
ΔfusH°	46.64	kJ/mol	Joback Calculated Property
ΔvapH°	93.53	kJ/mol	Relay (... Calculated Property
IE	8.24	eV	Relay (... Calculated Property
log10WS	-5.90		Relay (... Calculated Property
logPoct/wat	5.696		Crippen Calculated Property
McVol	266.270	ml/mol	McGowan Calculated Property
Pc	1491.89	kPa	Joback Calculated Property
I	[2877.00; 2877.00]
I	2877.00		NIST
I	2877.00		NIST
Tboil	620.82	K	Relay (... Calculated Property
Tc	811.59	K	Relay (... Calculated Property
Tfus	281.31	K	Relay (... Calculated Property
Vc	0.943	m3/kmol	Relay (... Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[755.05; 842.44]	J/mol×K	[755.74; 955.21]
Cp,gas	755.05	J/mol×K	755.74	Joback Calculated Property
Cp,gas	771.92	J/mol×K	788.99	Joback Calculated Property
Cp,gas	787.82	J/mol×K	822.23	Joback Calculated Property
Cp,gas	802.79	J/mol×K	855.48	Joback Calculated Property
Cp,gas	816.85	J/mol×K	888.72	Joback Calculated Property
Cp,gas	830.06	J/mol×K	921.97	Joback Calculated Property
Cp,gas	842.44	J/mol×K	955.21	Joback Calculated Property

Similar Compounds

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

Sources

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

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