Chemical Properties of 2,4-Bis(pentylthio)bute-2-nal

InChI

InChI=1S/C14H26OS2/c1-3-5-7-10-16-12-9-14(13-15)17-11-8-6-4-2/h9,13H,3-8,10-12H2,1-2H3/b14-9-

InChI Key

SSWJNUUBNWGTQY-ZROIWOOFSA-N

Formula

C14H26OS2

SMILES

CCCCCSCC=C(C=O)SCCCCC

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	0.6283		Relay (1.0) Calculated Property
ΔfG°	105.39	kJ/mol	Joback Calculated Property
ΔfH°gas	-268.31	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	41.46	kJ/mol	Joback Calculated Property
ΔvapH°	85.83	kJ/mol	Relay (1.0) Calculated Property
IE	8.21	eV	Relay (1.0) Calculated Property
log10WS	-5.18		Relay (1.0) Calculated Property
logPoct/wat	4.916		Crippen Calculated Property
McVol	238.090	ml/mol	McGowan Calculated Property
Pc	1740.46	kPa	Joback Calculated Property
I	[2740.00; 2740.00]
I	2740.00		NIST
I	2740.00		NIST
Tboil	604.73	K	Relay (1.0) Calculated Property
Tc	793.41	K	Relay (1.0) Calculated Property
Tfus	269.26	K	Relay (1.0) Calculated Property
Vc	0.833	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[643.41; 727.50]	J/mol×K	[709.98; 912.99]
Cp,gas	643.41	J/mol×K	709.98	Joback Calculated Property
Cp,gas	659.65	J/mol×K	743.82	Joback Calculated Property
Cp,gas	674.95	J/mol×K	777.65	Joback Calculated Property
Cp,gas	689.35	J/mol×K	811.49	Joback Calculated Property
Cp,gas	702.89	J/mol×K	845.32	Joback Calculated Property
Cp,gas	715.60	J/mol×K	879.16	Joback Calculated Property
Cp,gas	727.50	J/mol×K	912.99	Joback Calculated Property

Similar Compounds

Find more compounds similar to 2,4-Bis(pentylthio)bute-2-nal.

Sources

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

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