Chemical Properties of Propane, 1,1'-thiobis[3-chloro- (CAS 55882-21-8)

InChI

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

InChI Key

VDTHWBLOSZIMMN-UHFFFAOYSA-N

Formula

C6H12Cl2S

SMILES

ClCCCSCCCCl

Molecular Weight¹

187.13

CAS

55882-21-8

Other Names

• Bis(3-chloropropyl) sulfide

• ω : Acentric Factor.
• 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).
• 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	0.4435		Relay (1.0) Calculated Property
ΔfH°gas	-181.49	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	23.82	kJ/mol	Joback Calculated Property
ΔvapH°	67.07	kJ/mol	Relay (1.0) Calculated Property
IE	9.09	eV	Relay (1.0) Calculated Property
log10WS	-2.74		Relay (1.0) Calculated Property
logPoct/wat	2.977		Crippen Calculated Property
McVol	136.230	ml/mol	McGowan Calculated Property
Pc	2918.68	kPa	Joback Calculated Property
Inp	[1236.00; 1311.00]
Inp	1236.00		NIST
Inp	1275.60		NIST
Inp	1236.00		NIST
Inp	1275.60		NIST
Inp	1311.00		NIST
Inp	1236.00		NIST
Tboil	512.68	K	Relay (1.0) Calculated Property
Tc	721.82	K	Relay (1.0) Calculated Property
Tfus	239.17	K	Relay (1.0) Calculated Property
Vc	0.483	m3/kmol	Relay (1.0) Calculated Property

Cheméo can also estimate Standard Gibbs free energy of formation for this compound, but it falls outside the models' validated range, so it is not shown here. Open the prediction tool to compute it on demand.

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[180.08; 372.01]	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			4.28160e+01
Coefficient B			5.81790e-01
Coefficient C			-3.03200e-04
Coefficient D			5.06000e-08
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	180.08	J/mol×K	273.00	Calculated Property
Cp,gas	212.93	J/mol×K	353.78	Calculated Property
Cp,gas	242.53	J/mol×K	434.56	Calculated Property
Cp,gas	269.04	J/mol×K	515.33	Calculated Property
Cp,gas	292.60	J/mol×K	596.11	Calculated Property
Cp,gas	313.40	J/mol×K	676.89	Calculated Property
Cp,gas	331.57	J/mol×K	757.67	Calculated Property
Cp,gas	347.29	J/mol×K	838.44	Calculated Property
Cp,gas	360.72	J/mol×K	919.22	Calculated Property
Cp,gas	372.01	J/mol×K	1000.00	Calculated Property

Similar Compounds

Find more compounds similar to Propane, 1,1'-thiobis[3-chloro-.

Sources

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

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