Chemical Properties of Propargyl ethyl sulphide

InChI

InChI=1S/C5H8S/c1-3-5-6-4-2/h1H,4-5H2,2H3

InChI Key

HGRTUSIZMXOMCD-UHFFFAOYSA-N

Formula

C5H8S

SMILES

C#CCSCC

Molecular Weight¹

100.19

Other Names

• 3-(Ethylsulfanyl)-1-propyne
• 4-Thia-1-hexyne
• Ethyl propargyl 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	0.1750		Relay (1.0) Calculated Property
ΔfG°	247.41	kJ/mol	Joback Calculated Property
ΔfH°gas	199.40	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	15.81	kJ/mol	Joback Calculated Property
ΔvapH°	40.78	kJ/mol	Relay (1.0) Calculated Property
IE	8.83	eV	Relay (1.0) Calculated Property
log10WS	-1.39		Relay (1.0) Calculated Property
logPoct/wat	1.373		Crippen Calculated Property
McVol	89.060	ml/mol	McGowan Calculated Property
Pc	4255.16	kPa	Joback Calculated Property
Inp	[782.00; 782.00]
Inp	782.00		NIST
Inp	782.00		NIST
Inp	782.00		NIST
Tboil	403.88	K	Relay (1.0) Calculated Property
Tc	589.69	K	Relay (1.0) Calculated Property
Tfus	173.71	K	Relay (1.0) Calculated Property
Vc	0.305	m3/kmol	Relay (1.0) Calculated Property

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[120.87; 246.19]	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			3.17220e+01
Coefficient B			3.79310e-01
Coefficient C			-2.03930e-04
Coefficient D			3.90900e-08
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	120.87	J/mol×K	273.00	Calculated Property
Cp,gas	142.12	J/mol×K	353.78	Calculated Property
Cp,gas	161.25	J/mol×K	434.56	Calculated Property
Cp,gas	178.39	J/mol×K	515.33	Calculated Property
Cp,gas	193.65	J/mol×K	596.11	Calculated Property
Cp,gas	207.16	J/mol×K	676.89	Calculated Property
Cp,gas	219.05	J/mol×K	757.67	Calculated Property
Cp,gas	229.43	J/mol×K	838.44	Calculated Property
Cp,gas	238.44	J/mol×K	919.22	Calculated Property
Cp,gas	246.19	J/mol×K	1000.00	Calculated Property

Similar Compounds

Find more compounds similar to Propargyl ethyl sulphide.

Sources

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

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