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

• 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).
• 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 : 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
ΔfG°	-83.60	kJ/mol	Joback Calculated Property
ΔfH°gas	-169.60	kJ/mol	Joback Calculated Property
ΔfusH°	12.53	kJ/mol	Joback Calculated Property
ΔvapH°	38.03	kJ/mol	Joback Calculated Property
log10WS	-0.66		Crippen Calculated Property
logPoct/wat	0.938		Crippen Calculated Property
McVol	85.140	ml/mol	McGowan Calculated Property
Pc	4379.97	kPa	Joback Calculated Property
I	[1372.00; 1372.00]
I	1372.00		NIST
I	1372.00		NIST
Tboil	408.36	K	Joback Calculated Property
Tc	607.86	K	Joback Calculated Property
Tfus	211.24	K	Joback Calculated Property
Vc	0.331	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[150.29; 191.99]	J/mol×K	[408.36; 607.86]
Cp,gas	150.29	J/mol×K	408.36	Joback Calculated Property
Cp,gas	158.00	J/mol×K	441.61	Joback Calculated Property
Cp,gas	165.40	J/mol×K	474.86	Joback Calculated Property
Cp,gas	172.50	J/mol×K	508.11	Joback Calculated Property
Cp,gas	179.29	J/mol×K	541.36	Joback Calculated Property
Cp,gas	185.79	J/mol×K	574.61	Joback Calculated Property
Cp,gas	191.99	J/mol×K	607.86	Joback Calculated Property

Similar Compounds

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

Sources

• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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