Chemical Properties of Trisulfide, bis(2-chloroethyl)- (CAS 19149-77-0)

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

223.21

CAS

19149-77-0

Other Names

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

• ω : Acentric Factor.
• 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).
• Δ_vapH : Enthalpy of vaporization at a given temperature (kJ/mol).
• IE : Ionization energy (eV).
• 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.
• I : 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
ω	0.3969		Relay (1.0) Calculated Property
ΔfG°	58.30	kJ/mol	Joback Calculated Property
ΔfH°gas	-81.00	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	26.90	kJ/mol	Joback Calculated Property
ΔvapH°	74.81	kJ/mol	Relay (1.0) Calculated Property
IE	8.89	eV	Relay (1.0) Calculated Property
log10WS	-3.23		Relay (1.0) Calculated Property
logPoct/wat	3.494		Crippen Calculated Property
McVol	140.750	ml/mol	McGowan Calculated Property
Pc	3786.98	kPa	Joback 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
Tc	812.52	K	Relay (1.0) Calculated Property
Tfus	269.95	K	Relay (1.0) Calculated Property
Vc	0.471	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[258.93; 304.16]	J/mol×K	[572.12; 824.18]
Cp,gas	258.93	J/mol×K	572.12	Joback Calculated Property
Cp,gas	267.98	J/mol×K	614.13	Joback Calculated Property
Cp,gas	276.44	J/mol×K	656.14	Joback Calculated Property
Cp,gas	284.30	J/mol×K	698.15	Joback Calculated Property
Cp,gas	291.55	J/mol×K	740.16	Joback Calculated Property
Cp,gas	298.17	J/mol×K	782.17	Joback Calculated Property
Cp,gas	304.16	J/mol×K	824.18	Joback Calculated Property
ΔvapH	68.20	kJ/mol	313.00	NIST

Similar Compounds

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

Sources

• Cheméo Relay (1.0)
• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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