Chemical Properties of Bis(2-chloroethylthio)methane (CAS 63869-13-6)

InChI

InChI=1S/C5H10Cl2S2/c6-1-3-8-5-9-4-2-7/h1-5H2

InChI Key

RKTJTTAEKCRXNL-UHFFFAOYSA-N

Formula

C5H10Cl2S2

SMILES

ClCCSCSCCCl

Molecular Weight¹

205.17

CAS

63869-13-6

• 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°	33.60	kJ/mol	Joback Calculated Property
ΔfH°gas	-94.27	kJ/mol	Joback Calculated Property
ΔfusH°	25.36	kJ/mol	Joback Calculated Property
ΔvapH°	49.13	kJ/mol	Joback Calculated Property
log10WS	-2.48		Crippen Calculated Property
logPoct/wat	2.888		Crippen Calculated Property
McVol	138.490	ml/mol	McGowan Calculated Property
Pc	3310.55	kPa	Joback Calculated Property
Inp	[1569.00; 1569.00]
Inp	1569.00		NIST
Inp	1569.00		NIST
Inp	1569.00		NIST
Tboil	526.22	K	Joback Calculated Property
Tc	752.80	K	Joback Calculated Property
Tfus	274.75	K	Joback Calculated Property
Vc	0.521	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[260.39; 312.08]	J/mol×K	[526.22; 752.80]
Cp,gas	260.39	J/mol×K	526.22	Joback Calculated Property
Cp,gas	270.34	J/mol×K	563.98	Joback Calculated Property
Cp,gas	279.76	J/mol×K	601.75	Joback Calculated Property
Cp,gas	288.64	J/mol×K	639.51	Joback Calculated Property
Cp,gas	296.98	J/mol×K	677.27	Joback Calculated Property
Cp,gas	304.79	J/mol×K	715.03	Joback Calculated Property
Cp,gas	312.08	J/mol×K	752.80	Joback Calculated Property

Similar Compounds

Find more compounds similar to Bis(2-chloroethylthio)methane.

Sources

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

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