Chemical Properties of 2-Chloroethyl-2-chloropropyl sulfide

InChI

InChI=1S/C5H10Cl2S/c1-5(7)4-8-3-2-6/h5H,2-4H2,1H3

InChI Key

UXBWKLYRAKLSAF-UHFFFAOYSA-N

Formula

C5H10Cl2S

SMILES

CC(Cl)CSCCCl

Molecular Weight¹

173.11

• 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	0.3478		Relay (1.0) Calculated Property
ΔfG°	-1.96	kJ/mol	Joback Calculated Property
ΔfH°gas	-170.44	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	17.71	kJ/mol	Joback Calculated Property
ΔvapH°	59.04	kJ/mol	Relay (1.0) Calculated Property
IE	9.36	eV	Relay (1.0) Calculated Property
log10WS	-2.51		Relay (1.0) Calculated Property
logPoct/wat	2.586		Crippen Calculated Property
McVol	122.140	ml/mol	McGowan Calculated Property
Pc	3276.53	kPa	Joback Calculated Property
Inp	[1214.00; 1223.00]
Inp	1214.00		NIST
Inp	1214.00		NIST
Inp	1223.00		NIST
Tboil	484.77	K	Relay (1.0) Calculated Property
Tc	696.08	K	Relay (1.0) Calculated Property
Tfus	217.96	K	Relay (1.0) Calculated Property
Vc	0.424	m3/kmol	Relay (1.0) Calculated Property

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[158.55; 320.95]	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			4.20430e+01
Coefficient B			4.92710e-01
Coefficient C			-2.52000e-04
Coefficient D			3.82000e-08
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	158.55	J/mol×K	273.00	Calculated Property
Cp,gas	186.50	J/mol×K	353.78	Calculated Property
Cp,gas	211.70	J/mol×K	434.56	Calculated Property
Cp,gas	234.26	J/mol×K	515.33	Calculated Property
Cp,gas	254.30	J/mol×K	596.11	Calculated Property
Cp,gas	271.94	J/mol×K	676.89	Calculated Property
Cp,gas	287.31	J/mol×K	757.67	Calculated Property
Cp,gas	300.52	J/mol×K	838.44	Calculated Property
Cp,gas	311.69	J/mol×K	919.22	Calculated Property
Cp,gas	320.95	J/mol×K	1000.00	Calculated Property

Similar Compounds

Find more compounds similar to 2-Chloroethyl-2-chloropropyl sulfide.

Sources

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

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