Chemical Properties of 2-[Ethylthio]ethanal

InChI

InChI=1S/C4H8OS/c1-2-6-4-3-5/h3H,2,4H2,1H3

InChI Key

HFBNUVNBTPEIRY-UHFFFAOYSA-N

Formula

C4H8OS

SMILES

CCSCC=O

Molecular Weight¹

104.17

• 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_p : 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	0.2963		Relay (1.0) Calculated Property
ΔfG°	-83.60	kJ/mol	Joback Calculated Property
ΔfH°gas	-170.90	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	12.53	kJ/mol	Joback Calculated Property
ΔvapH°	46.73	kJ/mol	Relay (1.0) Calculated Property
IE	9.00	eV	Relay (1.0) Calculated Property
log10WS	-0.09		Relay (1.0) Calculated Property
logPoct/wat	0.938		Crippen Calculated Property
McVol	85.140	ml/mol	McGowan Calculated Property
Pc	4379.97	kPa	Joback Calculated Property
Ip	[1372.00; 1372.00]
Ip	1372.00		NIST
Ip	1372.00		NIST
Tboil	433.91	K	Relay (1.0) Calculated Property
Tc	644.27	K	Relay (1.0) Calculated Property
Tfus	217.01	K	Relay (1.0) Calculated Property
Vc	0.296	m3/kmol	Relay (1.0) Calculated Property

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[115.75; 243.06]	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			3.02520e+01
Coefficient B			3.52710e-01
Coefficient C			-1.46600e-04
Coefficient D			6.70000e-09
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	115.75	J/mol×K	273.00	Calculated Property
Cp,gas	136.98	J/mol×K	353.78	Calculated Property
Cp,gas	156.39	J/mol×K	434.56	Calculated Property
Cp,gas	174.00	J/mol×K	515.33	Calculated Property
Cp,gas	189.83	J/mol×K	596.11	Calculated Property
Cp,gas	203.91	J/mol×K	676.89	Calculated Property
Cp,gas	216.25	J/mol×K	757.67	Calculated Property
Cp,gas	226.87	J/mol×K	838.44	Calculated Property
Cp,gas	235.80	J/mol×K	919.22	Calculated Property
Cp,gas	243.06	J/mol×K	1000.00	Calculated Property

Similar Compounds

Find more compounds similar to 2-[Ethylthio]ethanal.

Sources

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

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