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

InChI

InChI=1S/C14H22OS2/c1-12(2)5-8-16-9-7-14(11-15)17-10-6-13(3)4/h5-7,11H,8-10H2,1-4H3/b14-7-

InChI Key

WHZPXKZANOPZGE-AUWJEWJLSA-N

Formula

C14H22OS2

SMILES

CC(C)=CCSCC=C(C=O)SCC=C(C)C

Molecular Weight¹

270.45

• 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	0.4390		Relay (1.0) Calculated Property
ΔfG°	248.73	kJ/mol	Joback Calculated Property
ΔfH°gas	-149.86	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	39.24	kJ/mol	Joback Calculated Property
ΔvapH°	84.34	kJ/mol	Relay (1.0) Calculated Property
IE	8.08	eV	Relay (1.0) Calculated Property
log10WS	-4.72		Relay (1.0) Calculated Property
logPoct/wat	4.468		Crippen Calculated Property
McVol	229.490	ml/mol	McGowan Calculated Property
Pc	1918.62	kPa	Joback Calculated Property
I	[2750.00; 2750.00]
I	2750.00		NIST
I	2750.00		NIST
Tboil	600.43	K	Relay (1.0) Calculated Property
Tc	793.25	K	Relay (1.0) Calculated Property
Tfus	273.62	K	Relay (1.0) Calculated Property
Vc	0.753	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[595.88; 676.40]	J/mol×K	[718.06; 942.22]
Cp,gas	595.88	J/mol×K	718.06	Joback Calculated Property
Cp,gas	611.50	J/mol×K	755.42	Joback Calculated Property
Cp,gas	626.14	J/mol×K	792.78	Joback Calculated Property
Cp,gas	639.87	J/mol×K	830.14	Joback Calculated Property
Cp,gas	652.77	J/mol×K	867.50	Joback Calculated Property
Cp,gas	664.93	J/mol×K	904.86	Joback Calculated Property
Cp,gas	676.40	J/mol×K	942.22	Joback Calculated Property

Similar Compounds

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

Sources

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

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