Chemical Properties of Ethane, 1,2-bis-(2-diethylamonoethylthio)

InChI

InChI=1S/C14H32N2S2/c1-5-15(6-2)9-11-17-13-14-18-12-10-16(7-3)8-4/h5-14H2,1-4H3

InChI Key

VUBCXWHBJHMDBK-UHFFFAOYSA-N

Formula

C14H32N2S2

SMILES

CCN(CC)CCSCCSCCN(CC)CC

Molecular Weight¹

292.55

Other Names

• Ethane, 1,2-bis-(2-diethylaminoethylthio)

• 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	0.6323		Relay (1.0) Calculated Property
ΔfG°	354.80	kJ/mol	Joback Calculated Property
ΔfH°gas	-202.96	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	46.32	kJ/mol	Joback Calculated Property
ΔvapH°	88.67	kJ/mol	Relay (1.0) Calculated Property
IE	8.19	eV	Relay (1.0) Calculated Property
log10WS	-2.08		Relay (1.0) Calculated Property
logPoct/wat	3.136		Crippen Calculated Property
McVol	260.780	ml/mol	McGowan Calculated Property
Pc	1559.81	kPa	Joback Calculated Property
Inp	[2018.00; 2021.00]
Inp	2021.00		NIST
Inp	2021.00		NIST
Inp	2018.00		NIST
Inp	2021.00		NIST
Inp	2018.00		NIST
Tboil	605.48	K	Relay (1.0) Calculated Property
Tc	764.92	K	Relay (1.0) Calculated Property
Tfus	219.29	K	Relay (1.0) Calculated Property
Vc	0.929	m3/kmol	Relay (1.0) Calculated Property

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[374.50; 870.84]	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			7.98000e+00
Coefficient B			1.57046e+00
Coefficient C			-8.82600e-04
Coefficient D			1.75000e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	374.50	J/mol×K	273.00	Calculated Property
Cp,gas	460.86	J/mol×K	353.78	Calculated Property
Cp,gas	538.12	J/mol×K	434.56	Calculated Property
Cp,gas	606.85	J/mol×K	515.33	Calculated Property
Cp,gas	667.59	J/mol×K	596.11	Calculated Property
Cp,gas	720.89	J/mol×K	676.89	Calculated Property
Cp,gas	767.32	J/mol×K	757.67	Calculated Property
Cp,gas	807.41	J/mol×K	838.44	Calculated Property
Cp,gas	841.74	J/mol×K	919.22	Calculated Property
Cp,gas	870.84	J/mol×K	1000.00	Calculated Property

Similar Compounds

Find more compounds similar to Ethane, 1,2-bis-(2-diethylamonoethylthio).

Sources

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

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