Chemical Properties of Propane, 1-chloro-3-((2-chloroethyl)thio)- (CAS 71784-01-5)

InChI

InChI=1S/C5H10Cl2S/c6-2-1-4-8-5-3-7/h1-5H2

InChI Key

NXRPRUPNFDEDSY-UHFFFAOYSA-N

Formula

C5H10Cl2S

SMILES

ClCCCSCCCl

Molecular Weight¹

173.10

CAS

71784-01-5

Other Names

• 1-Chloro-3-((2-chloroethyl)thio)propane
• 2-Chloroethyl-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	0.3935		Relay (1.0) Calculated Property
ΔfG°	0.48	kJ/mol	Joback Calculated Property
ΔfH°gas	-151.32	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	21.23	kJ/mol	Joback Calculated Property
ΔvapH°	62.00	kJ/mol	Relay (1.0) Calculated Property
IE	9.33	eV	Relay (1.0) Calculated Property
log10WS	-2.39		Relay (1.0) Calculated Property
logPoct/wat	2.587		Crippen Calculated Property
McVol	122.140	ml/mol	McGowan Calculated Property
Pc	3246.73	kPa	Joback Calculated Property
Inp	[1169.00; 1212.60]
Inp	1169.00		NIST
Inp	1212.60		NIST
Inp	1169.00		NIST
Inp	1212.60		NIST
Inp	1174.00		NIST
Tboil	497.49	K	Relay (1.0) Calculated Property
Tc	716.52	K	Relay (1.0) Calculated Property
Tfus	226.97	K	Relay (1.0) Calculated Property
Vc	0.428	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[218.04; 268.23]	J/mol×K	[457.44; 662.27]
Cp,gas	218.04	J/mol×K	457.44	Joback Calculated Property
Cp,gas	227.50	J/mol×K	491.58	Joback Calculated Property
Cp,gas	236.50	J/mol×K	525.72	Joback Calculated Property
Cp,gas	245.07	J/mol×K	559.86	Joback Calculated Property
Cp,gas	253.20	J/mol×K	594.00	Joback Calculated Property
Cp,gas	260.92	J/mol×K	628.14	Joback Calculated Property
Cp,gas	268.23	J/mol×K	662.27	Joback Calculated Property

Similar Compounds

Find more compounds similar to Propane, 1-chloro-3-((2-chloroethyl)thio)-.

Sources

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

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