Chemical Properties of ETHANE, 1,1'-OXYBIS[2-(2-CHLOROETHYL)THIO-

InChI

InChI=1S/C8H16Cl2OS2/c9-1-5-12-7-3-11-4-8-13-6-2-10/h1-8H2

InChI Key

FWVCSXWHVOOTFJ-UHFFFAOYSA-N

Formula

C8H16Cl2OS2

SMILES

ClCCSCCOCCSCCCl

Molecular Weight¹

263.25

Other Names

• Bis(2-chloroethylthioethyl) ether
• Ethane, 1,1'-oxybis(2-((2-chloroethyl)thio)-
• Ether, bis(2-(2-chloroethylmercapto)ethyl)
• Ether, bis(2-chloroethylthioethyl)
• Bis(«beta»-chloroethylthioethyl) ether
• 2-2'-Di(3-chloroethylthio)-diethyl ether
• Dimustard ether
• bis-[(2-Chloroethylthio)ethy] ether
• Agent T
• NSC 58818
• O-Mustard T

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• 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).
• I_np : Non-polar retention indices.
• I_p : Polar retention indices.
• T_boil : Normal Boiling Point Temperature (K).
• T_fus : Normal melting (fusion) point (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ΔfusH°	34.32	kJ/mol	Joback Calculated Property
ΔvapH°	84.49	kJ/mol	Relay (1.0) Calculated Property
log10WS	-2.75		Relay (1.0) Calculated Property
logPoct/wat	2.947		Crippen Calculated Property
McVol	186.630	ml/mol	McGowan Calculated Property
Inp	[1974.00; 1990.00]
Inp	1990.00		NIST
Inp	1987.80		NIST
Inp	1982.60		NIST
Inp	1982.60		NIST
Inp	1979.60		NIST
Inp	1974.00		NIST
Inp	1974.00		NIST
Inp	1990.00		NIST
Inp	1990.00		NIST
Inp	1974.00		NIST
Ip	[3040.00; 3040.30]
Ip	3040.30		NIST
Ip	3040.00		NIST
Tboil	584.81	K	Relay (1.0) Calculated Property
Tfus	250.53	K	Relay (1.0) Calculated Property

Cheméo can also estimate Critical Temperature, Critical Pressure, Critical Volume, Enthalpy of formation at standard conditions, Standard Gibbs free energy of formation, Acentric Factor, Ionization energy for this compound, but they fall outside the models' validated range, so they are not shown here. Open the prediction tool to compute them on demand.

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[258.41; 520.28]	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			8.60980e+01
Coefficient B			7.02980e-01
Coefficient C			-2.60800e-04
Coefficient D			-8.00000e-09
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	258.41	J/mol×K	273.00	Calculated Property
Cp,gas	301.80	J/mol×K	353.78	Calculated Property
Cp,gas	341.68	J/mol×K	434.56	Calculated Property
Cp,gas	378.01	J/mol×K	515.33	Calculated Property
Cp,gas	410.78	J/mol×K	596.11	Calculated Property
Cp,gas	439.96	J/mol×K	676.89	Calculated Property
Cp,gas	465.53	J/mol×K	757.67	Calculated Property
Cp,gas	487.45	J/mol×K	838.44	Calculated Property
Cp,gas	505.71	J/mol×K	919.22	Calculated Property
Cp,gas	520.28	J/mol×K	1000.00	Calculated Property

Similar Compounds

Find more compounds similar to ETHANE, 1,1'-OXYBIS[2-(2-CHLOROETHYL)THIO-.

Sources

• Cheméo Relay (1.0)
• Cheméo Relay (1.0, beta) Beta: served but experimental, data-limited and below our cross-validation release bar; the Joback value is recommended where available.
• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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