Chemical Properties of 2-CHLORO-2'-HYDROXYDIETHYL SULFIDE

InChI

InChI=1S/C4H9ClOS/c5-1-3-7-4-2-6/h6H,1-4H2

InChI Key

ZGFPMAMREQRRRB-UHFFFAOYSA-N

Formula

C4H9ClOS

SMILES

OCCSCCCl

Molecular Weight¹

140.64

Other Names

• Half mustard gas
• Half sulfur mustard
• Hemisulfur mustard
• HSM
• Mustard chlorohydrin
• Sulfide, 2-chloroethyl 2-hydroxyethyl
• Sulfur half-mustard
• 2-Chloroethyl 2-hydroxyethyl sulfide
• 2-Chloroethyl-2'-hydroxyethyl sulfide
• 2-Hydroxyethyl 2-chloroethyl sulfide
• «beta»-Chloroethyl «beta»-hydroxyethyl sulfide
• 2-((2-Chloroethyl)thio)ethanol
• 2-Chloro-2'-hydroxydiethylsulfide
• NSC 30024

• 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).
• IE : Ionization energy (eV).
• 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
ΔfusH°	18.53	kJ/mol	Joback Calculated Property
ΔvapH°	71.46	kJ/mol	Relay (1.0) Calculated Property
IE	9.51	eV	Relay (1.0) Calculated Property
logPoct/wat	0.951		Crippen Calculated Property
McVol	101.680	ml/mol	McGowan Calculated Property
Inp	[1132.00; 1177.50]
Inp	1132.00		NIST
Inp	1177.50		NIST
Inp	1132.00		NIST
Inp	1177.50		NIST
Inp	1132.00		NIST
Tboil	510.86	K	Relay (1.0) Calculated Property
Tfus	232.80	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, Log10 of Water solubility in mol/l 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	[196.35; 235.96]	J/mol×K	[489.31; 679.17]
Cp,gas	196.35	J/mol×K	489.31	Joback Calculated Property
Cp,gas	203.74	J/mol×K	520.95	Joback Calculated Property
Cp,gas	210.81	J/mol×K	552.60	Joback Calculated Property
Cp,gas	217.56	J/mol×K	584.24	Joback Calculated Property
Cp,gas	224.00	J/mol×K	615.88	Joback Calculated Property
Cp,gas	230.13	J/mol×K	647.52	Joback Calculated Property
Cp,gas	235.96	J/mol×K	679.17	Joback Calculated Property

Similar Compounds

Find more compounds similar to 2-CHLORO-2'-HYDROXYDIETHYL SULFIDE.

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

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.