Chemical Properties of Ethanol, 2-(2-chloro-ethylthio)- (CAS 693-30-1)

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

140.63

CAS

693-30-1

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_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).
• 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
ΔfG°	-132.83	kJ/mol	Joback Calculated Property
ΔfH°gas	-251.99	kJ/mol	Joback Calculated Property
ΔfusH°	18.53	kJ/mol	Joback Calculated Property
ΔvapH°	52.38	kJ/mol	Joback Calculated Property
log10WS	-0.80		Crippen Calculated Property
logPoct/wat	0.951		Crippen Calculated Property
McVol	101.680	ml/mol	McGowan Calculated Property
Pc	4271.86	kPa	Joback 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	489.31	K	Joback Calculated Property
Tc	679.17	K	Joback Calculated Property
Tfus	259.98	K	Joback Calculated Property
Vc	0.382	m3/kmol	Joback Calculated Property

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 Ethanol, 2-(2-chloro-ethylthio)-.

Sources

• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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