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_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	0.4435		Relay (1.0) Calculated Property
ΔfG°	8.90	kJ/mol	Joback Calculated Property
ΔfH°gas	-181.49	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	23.82	kJ/mol	Joback Calculated Property
ΔvapH°	66.05	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	717.73	K	Relay (1.0) Calculated Property
Tfus	242.03	K	Relay (1.0) Calculated Property
Vc	0.480	m3/kmol	Relay (1.0) Calculated Property

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 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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