Chemical Properties of Bis(2-diethylaminoethyl) disulfide

InChI

InChI=1S/C12H28N2S2/c1-5-13(6-2)9-11-15-16-12-10-14(7-3)8-4/h5-12H2,1-4H3

InChI Key

MNAQQAGUKWXGLG-UHFFFAOYSA-N

Formula

C12H28N2S2

SMILES

CCN(CC)CCSSCCN(CC)CC

Molecular Weight¹

264.50

• 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_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
ω	0.5726		Relay (1.0) Calculated Property
ΔfG°	337.96	kJ/mol	Joback Calculated Property
ΔfH°gas	-151.29	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	41.14	kJ/mol	Joback Calculated Property
ΔvapH°	81.28	kJ/mol	Relay (1.0) Calculated Property
IE	8.27	eV	Relay (1.0) Calculated Property
log10WS	-1.80		Relay (1.0) Calculated Property
logPoct/wat	3.051		Crippen Calculated Property
McVol	232.600	ml/mol	McGowan Calculated Property
Pc	1826.28	kPa	Joback Calculated Property
Inp	[1818.00; 1823.00]
Inp	1818.00		NIST
Inp	1818.00		NIST
Inp	1823.00		NIST
Inp	1818.00		NIST
Inp	1818.00		NIST
Inp	1823.00		NIST
Tboil	576.26	K	Relay (1.0) Calculated Property
Tc	746.61	K	Relay (1.0) Calculated Property
Tfus	205.27	K	Relay (1.0) Calculated Property
Vc	0.831	m3/kmol	Relay (1.0) Calculated Property

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[332.07; 767.66]	J/mol×K	[273.00; 1000.00]	Joback Predicted correlation
Equation			Y = A + B·T + C·T² + D·T³ + E·T⁴ Y is Cp,gas in J/mol×K, T in K
Coefficient A			9.79800e+00
Coefficient B			1.38046e+00
Coefficient C			-7.73800e-04
Coefficient D			1.51200e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	332.07	J/mol×K	273.00	Calculated Property
Cp,gas	408.02	J/mol×K	353.78	Calculated Property
Cp,gas	475.97	J/mol×K	434.56	Calculated Property
Cp,gas	536.39	J/mol×K	515.33	Calculated Property
Cp,gas	589.77	J/mol×K	596.11	Calculated Property
Cp,gas	636.57	J/mol×K	676.89	Calculated Property
Cp,gas	677.28	J/mol×K	757.67	Calculated Property
Cp,gas	712.38	J/mol×K	838.44	Calculated Property
Cp,gas	742.35	J/mol×K	919.22	Calculated Property
Cp,gas	767.66	J/mol×K	1000.00	Calculated Property

Similar Compounds

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

Sources

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

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