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_fusH° : Enthalpy of fusion at standard conditions (kJ/mol).
• Δ_vapH° : Enthalpy of vaporization at standard conditions (kJ/mol).
• 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).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ΔfusH°	25.36	kJ/mol	Joback Calculated Property
ΔvapH°	71.62	kJ/mol	Relay (1.0) Calculated Property
logPoct/wat	2.888		Crippen Calculated Property
McVol	138.490	ml/mol	McGowan Calculated Property
Inp	[1569.00; 1569.00]
Inp	1569.00		NIST
Inp	1569.00		NIST
Inp	1569.00		NIST
Tboil	550.85	K	Relay (1.0) Calculated Property

Cheméo can also estimate Normal melting (fusion) point, Critical Temperature, Critical Pressure, Critical Volume, Enthalpy of formation at standard conditions, Standard Gibbs free energy of formation, Acentric Factor, Ionization energy, 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	[260.44; 312.13]	J/mol×K	[526.42; 753.08]
Cp,gas	260.44	J/mol×K	526.42	Joback Calculated Property
Cp,gas	270.40	J/mol×K	564.20	Joback Calculated Property
Cp,gas	279.81	J/mol×K	601.97	Joback Calculated Property
Cp,gas	288.69	J/mol×K	639.75	Joback Calculated Property
Cp,gas	297.03	J/mol×K	677.53	Joback Calculated Property
Cp,gas	304.85	J/mol×K	715.31	Joback Calculated Property
Cp,gas	312.13	J/mol×K	753.08	Joback Calculated Property

Similar Compounds

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

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.
These property values are available through the Cheméo API. A free account gives you an access key.