Chemical Properties of Ethyl chloromethyl sulfide

InChI

InChI=1S/C3H7ClS/c1-2-5-3-4/h2-3H2,1H3

InChI Key

XZCHJYXUPALGHH-UHFFFAOYSA-N

Formula

C3H7ClS

SMILES

CCSCCl

Molecular Weight¹

110.61

• 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).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ΔfH°gas	-96.63	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	11.85	kJ/mol	Joback Calculated Property
ΔvapH°	40.45	kJ/mol	Relay (1.0) Calculated Property
IE	9.19	eV	Relay (1.0) Calculated Property
log10WS	-1.68		Relay (1.0) Calculated Property
logPoct/wat	1.936		Crippen Calculated Property
McVol	81.720	ml/mol	McGowan Calculated Property
Pc	4294.29	kPa	Joback Calculated Property
Inp	[822.00; 822.00]
Inp	822.00		NIST
Inp	822.00		NIST
Tboil	406.58	K	Relay (1.0) Calculated Property
Tc	603.71	K	Relay (1.0) Calculated Property
Tfus	188.72	K	Relay (1.0) Calculated Property

Cheméo can also estimate Critical Volume, Standard Gibbs free energy of formation, Acentric Factor for this compound, but they fall outside the models' validated range, so they are not shown here. Open the prediction tool to compute them on demand.

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[103.03; 208.96]	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			3.26520e+01
Coefficient B			2.90010e-01
Coefficient C			-1.19600e-04
Coefficient D			5.90000e-09
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	103.03	J/mol×K	273.00	Calculated Property
Cp,gas	120.54	J/mol×K	353.78	Calculated Property
Cp,gas	136.58	J/mol×K	434.56	Calculated Property
Cp,gas	151.15	J/mol×K	515.33	Calculated Property
Cp,gas	164.28	J/mol×K	596.11	Calculated Property
Cp,gas	175.99	J/mol×K	676.89	Calculated Property
Cp,gas	186.29	J/mol×K	757.67	Calculated Property
Cp,gas	195.21	J/mol×K	838.44	Calculated Property
Cp,gas	202.76	J/mol×K	919.22	Calculated Property
Cp,gas	208.96	J/mol×K	1000.00	Calculated Property

Similar Compounds

Find more compounds similar to Ethyl chloromethyl sulfide.

Sources

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

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