Chemical Properties of 2-Chloroethyl 4-chlorobutyl sulfide

InChI

InChI=1S/C6H12Cl2S/c7-3-1-2-5-9-6-4-8/h1-6H2

InChI Key

YVIBABWKOTUTDX-UHFFFAOYSA-N

Formula

C6H12Cl2S

SMILES

ClCCCCSCCCl

Molecular Weight¹

187.14

Other Names

• Sulfide, 2-chloroethyl, 4-chlorobutyl

• 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).
• 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
ΔfH°gas	-176.42	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	23.82	kJ/mol	Joback Calculated Property
ΔvapH°	65.95	kJ/mol	Relay (1.0) Calculated Property
IE	9.22	eV	Relay (1.0) Calculated Property
logPoct/wat	2.977		Crippen Calculated Property
McVol	136.230	ml/mol	McGowan Calculated Property
Inp	[1269.00; 1312.30]
Inp	1269.00		NIST
Inp	1312.30		NIST
Inp	1269.00		NIST
Inp	1312.30		NIST
Tboil	512.73	K	Relay (1.0) Calculated Property
Tfus	238.71	K	Relay (1.0) Calculated Property

Cheméo can also estimate Critical Temperature, Critical Pressure, Critical Volume, 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	[257.92; 314.74]	J/mol×K	[480.32; 682.49]
Cp,gas	257.92	J/mol×K	480.32	Joback Calculated Property
Cp,gas	268.63	J/mol×K	514.02	Joback Calculated Property
Cp,gas	278.83	J/mol×K	547.71	Joback Calculated Property
Cp,gas	288.52	J/mol×K	581.41	Joback Calculated Property
Cp,gas	297.74	J/mol×K	615.10	Joback Calculated Property
Cp,gas	306.47	J/mol×K	648.80	Joback Calculated Property
Cp,gas	314.74	J/mol×K	682.49	Joback Calculated Property

Similar Compounds

Find more compounds similar to 2-Chloroethyl 4-chlorobutyl 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.
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