Chemical Properties of Bis(2-diethylaminoethyl) sulfide (CAS 6006-58-2)

InChI

InChI=1S/C12H28N2S/c1-5-13(6-2)9-11-15-12-10-14(7-3)8-4/h5-12H2,1-4H3

InChI Key

LYFNBXZVKYDWNX-UHFFFAOYSA-N

Formula

C12H28N2S

SMILES

CCN(CC)CCSCCN(CC)CC

Molecular Weight¹

232.43

CAS

6006-58-2

Other Names

• 2,2'-Thiodi(ethanamine), N,N,N',N'-tetraethyl-

• 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_np : Non-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°	304.84	kJ/mol	Joback Calculated Property
ΔfH°gas	-114.08	kJ/mol	Joback Calculated Property
ΔfusH°	37.01	kJ/mol	Joback Calculated Property
ΔvapH°	53.21	kJ/mol	Joback Calculated Property
log10WS	-1.87		Crippen Calculated Property
logPoct/wat	2.403		Crippen Calculated Property
McVol	216.250	ml/mol	McGowan Calculated Property
Pc	1800.03	kPa	Joback Calculated Property
Inp	[1579.00; 1597.00]
Inp	1584.00		NIST
Inp	Outlier 1597.00		NIST
Inp	1584.00		NIST
Inp	1579.00		NIST
Inp	1584.00		NIST
Inp	1584.00		NIST
Tboil	567.62	K	Joback Calculated Property
Tc	742.69	K	Joback Calculated Property
Tfus	324.34	K	Joback Calculated Property
Vc	0.797	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[547.39; 643.87]	J/mol×K	[567.62; 742.69]
Cp,gas	547.39	J/mol×K	567.62	Joback Calculated Property
Cp,gas	565.49	J/mol×K	596.80	Joback Calculated Property
Cp,gas	582.74	J/mol×K	625.98	Joback Calculated Property
Cp,gas	599.18	J/mol×K	655.16	Joback Calculated Property
Cp,gas	614.83	J/mol×K	684.33	Joback Calculated Property
Cp,gas	629.72	J/mol×K	713.51	Joback Calculated Property
Cp,gas	643.87	J/mol×K	742.69	Joback Calculated Property

Similar Compounds

Find more compounds similar to Bis(2-diethylaminoethyl) sulfide.

Sources

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

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Outlier This icon means that the value is more than 2 standard deviations away from the property mean.