Chemical Properties of 2-Chloroethyl ethyl sulfide (CAS 693-07-2)

InChI

InChI=1S/C4H9ClS/c1-2-6-4-3-5/h2-4H2,1H3

InChI Key

GBNVXYXIRHSYEG-UHFFFAOYSA-N

Formula

C4H9ClS

SMILES

CCSCCCl

Molecular Weight¹

124.63

CAS

693-07-2

Other Names

• 1-Chloro-2-(ethylthio)ethane
• 2-(Ethylthio)chloroethane
• 2-Chloroethyl ethyl thioether
• 2-Ethylthioethyl chloride
• 2-chloroethyl ethyl sulphide
• Chlordiethylsulfid
• Ethane, 1-chloro-2-(ethylthio)-
• Ethyl 2-chloroethyl sulfide
• Ethyl «beta»-chloroethyl sulfide
• Half-mustard gas
• Half-sulfur mustard
• NSC 10977
• Sulfide, 2-chloroethyl ethyl
• Sulfide, chloroethyl ethyl
• h-MG
• «beta»-Ethylmerkaptoethylchlorid

• 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).
• Δ_vapH : Enthalpy of vaporization at a given temperature (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).
• T_boil : Normal Boiling Point Temperature (K).
• T_boilr : Boiling point at reduced pressure (K).
• T_c : Critical Temperature (K).
• T_fus : Normal melting (fusion) point (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Cheméo can also estimate 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	[158.37; 203.42]	J/mol×K	[397.33; 597.26]
Cp,gas	158.37	J/mol×K	397.33	Joback Calculated Property
Cp,gas	166.70	J/mol×K	430.65	Joback Calculated Property
Cp,gas	174.70	J/mol×K	463.97	Joback Calculated Property
Cp,gas	182.37	J/mol×K	497.30	Joback Calculated Property
Cp,gas	189.70	J/mol×K	530.62	Joback Calculated Property
Cp,gas	196.72	J/mol×K	563.94	Joback Calculated Property
Cp,gas	203.42	J/mol×K	597.26	Joback Calculated Property
ΔvapH	44.40	kJ/mol	313.00	NIST

Pressure Dependent Properties

Similar Compounds

Find more compounds similar to 2-Chloroethyl ethyl sulfide.

Sources

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

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