Chemical Properties of Trisulfide, bis(2-chloroethyl)-

InChI

InChI=1S/C4H8Cl2S3/c5-1-3-7-9-8-4-2-6/h1-4H2

InChI Key

XHODIRQQNWHUGV-UHFFFAOYSA-N

Formula

C4H8Cl2S3

SMILES

ClCCSSSCCCl

Molecular Weight¹

223.22

Other Names

• Trisulfane, 1,3-di(2-chloroethyl)-
• 1,3-Bis(2-chloroethyl)trisulfane
• bis-(2-Chloroethyl) trisulfide

• 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).
• Δ_vapH : Enthalpy of vaporization at a given temperature (kJ/mol).
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• I_np : Non-polar retention indices.
• I : 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°	26.90	kJ/mol	Joback Calculated Property
ΔvapH°	75.59	kJ/mol	Relay (1.0) Calculated Property
logPoct/wat	3.494		Crippen Calculated Property
McVol	140.750	ml/mol	McGowan Calculated Property
Inp	[1561.70; 1626.30]
Inp	1562.00		NIST
Inp	1626.30		NIST
Inp	1562.00		NIST
Inp	1626.30		NIST
Inp	1561.70		NIST
Inp	1626.30		NIST
Inp	1562.00		NIST
Inp	1626.30		NIST
I	[2456.20; 2456.20]
I	2456.20		NIST
I	2456.20		NIST
Tboil	579.36	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

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[178.66; 322.00]	J/mol×K	[273.00; 1000.00]	Joback Predicted correlation
Equation			Y = A + B·T + C·T² + D·T³ + E·T⁴ Y is Cp,gas in J/mol×K, T in K
Coefficient A			8.38340e+01
Coefficient B			3.80570e-01
Coefficient C			-1.14000e-04
Coefficient D			-2.84000e-08
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	178.66	J/mol×K	273.00	Calculated Property
Cp,gas	202.95	J/mol×K	353.78	Calculated Property
Cp,gas	225.35	J/mol×K	434.56	Calculated Property
Cp,gas	245.79	J/mol×K	515.33	Calculated Property
Cp,gas	264.17	J/mol×K	596.11	Calculated Property
Cp,gas	280.40	J/mol×K	676.89	Calculated Property
Cp,gas	294.38	J/mol×K	757.67	Calculated Property
Cp,gas	306.04	J/mol×K	838.44	Calculated Property
Cp,gas	315.28	J/mol×K	919.22	Calculated Property
Cp,gas	322.00	J/mol×K	1000.00	Calculated Property

Similar Compounds

Find more compounds similar to Trisulfide, bis(2-chloroethyl)-.

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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