Chemical Properties of Sulfide, bis(2-chloropropyl) (CAS 22535-54-2)

InChI

InChI=1S/C6H12Cl2S/c1-5(7)3-9-4-6(2)8/h5-6H,3-4H2,1-2H3

InChI Key

AQHTWLYIOSPNMG-UHFFFAOYSA-N

Formula

C6H12Cl2S

SMILES

CC(Cl)CSCC(C)Cl

Molecular Weight¹

187.13

CAS

22535-54-2

Other Names

• (-)-«alpha»,«alpha»'-Dimethyl-«beta»,«beta»'-bischloroethyl sulfide
• Bis(2-chloropropyl)sulfide
• Propane, 1,1'-thiobis(2-chloro-
• Propane, 2-chloro-3-(2-chloropropylthio)-
• TL 293

• 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).
• 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.
• 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	0.3683		Relay (1.0) Calculated Property
ΔfG°	4.02	kJ/mol	Joback Calculated Property
ΔfH°gas	-210.52	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	16.77	kJ/mol	Joback Calculated Property
ΔvapH°	61.20	kJ/mol	Relay (1.0) Calculated Property
IE	9.11	eV	Relay (1.0) Calculated Property
log10WS	-3.16		Relay (1.0) Calculated Property
logPoct/wat	2.974		Crippen Calculated Property
McVol	136.230	ml/mol	McGowan Calculated Property
Pc	2969.80	kPa	Joback Calculated Property
Inp	[1261.00; 1261.00]
Inp	1261.00		NIST
Inp	1261.00		NIST
Tboil	489.78	K	Relay (1.0) Calculated Property
Tc	683.84	K	Relay (1.0) Calculated Property
Tfus	250.15	K	Relay (1.0) Calculated Property
Vc	0.477	m3/kmol	Relay (1.0) Calculated Property

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[179.45; 373.08]	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			3.94520e+01
Coefficient B			5.93630e-01
Coefficient C			-3.09600e-04
Coefficient D			4.96000e-08
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	179.45	J/mol×K	273.00	Calculated Property
Cp,gas	212.91	J/mol×K	353.78	Calculated Property
Cp,gas	243.02	J/mol×K	434.56	Calculated Property
Cp,gas	269.94	J/mol×K	515.33	Calculated Property
Cp,gas	293.81	J/mol×K	596.11	Calculated Property
Cp,gas	314.80	J/mol×K	676.89	Calculated Property
Cp,gas	333.07	J/mol×K	757.67	Calculated Property
Cp,gas	348.77	J/mol×K	838.44	Calculated Property
Cp,gas	362.05	J/mol×K	919.22	Calculated Property
Cp,gas	373.08	J/mol×K	1000.00	Calculated Property

Similar Compounds

Find more compounds similar to Sulfide, bis(2-chloropropyl).

Sources

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

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