Chemical Properties of Ethane, 1,1'-sulfinylbis[2-chloro-

InChI

InChI=1S/C4H8Cl2OS/c5-1-3-8(7)4-2-6/h1-4H2

InChI Key

NOMHBBFEJSVGSC-UHFFFAOYSA-N

Formula

C4H8Cl2OS

SMILES

O=S(CCCl)CCCl

Molecular Weight¹

175.08

Other Names

• 1,1'-Sulfinylbis[2-chloroethane]
• 1-chloro-2-(2-chloroethylsulfinyl)ethane
• Bis(2-chloroethyl) sulfoxide
• H Sulfoxide
• Mustard gas sulfoxide
• Mustard sulfone
• NSC 141393
• Sulfoxide, bis(2-chloroethyl)
• Yperite sulfoxide

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• 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).
• I_np : Non-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
ΔfH°gas	-259.60	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	22.26	kJ/mol	Joback Calculated Property
ΔvapH°	85.11	kJ/mol	Relay (1.0) Calculated Property
IE	9.43	eV	Relay (1.0) Calculated Property
log10WS	-1.16		Aq. Solubility Prediction
logPoct/wat	1.213		Crippen Calculated Property
McVol	113.920	ml/mol	McGowan Calculated Property
Inp	[1365.00; 1367.00]
Inp	1367.00		NIST
Inp	1367.00		NIST
Inp	1367.00		NIST
Inp	1365.00		NIST
Inp	1365.00		NIST
Tboil	540.03	K	Relay (1.0) Calculated Property
Tfus	370.36	K	Relay (1.0) Calculated Property

Cheméo can also estimate Critical Temperature, Critical Pressure, Critical Volume, Standard Gibbs free energy of formation, Acentric Factor 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.

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[193.92; 238.20]	J/mol×K	[424.06; 616.88]
Cp,gas	193.92	J/mol×K	424.06	Joback Calculated Property
Cp,gas	202.17	J/mol×K	456.20	Joback Calculated Property
Cp,gas	210.07	J/mol×K	488.33	Joback Calculated Property
Cp,gas	217.62	J/mol×K	520.47	Joback Calculated Property
Cp,gas	224.82	J/mol×K	552.61	Joback Calculated Property
Cp,gas	231.68	J/mol×K	584.75	Joback Calculated Property
Cp,gas	238.20	J/mol×K	616.88	Joback Calculated Property

Similar Compounds

Find more compounds similar to Ethane, 1,1'-sulfinylbis[2-chloro-.

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
• Joback Method
• Aqueous Solubility Prediction Method
• McGowan Method
• NIST Webbook

Note: Cheméo is only indexing the data, follow the source links to retrieve the latest data. The source is also providing more information like the publication year, authors and more. Take the time to validate and double check the source of the data.