Chemical Properties of 2-[Butylthio]ethanal

InChI

InChI=1S/C6H12OS/c1-2-3-5-8-6-4-7/h4H,2-3,5-6H2,1H3

InChI Key

WZLVGITZGOFMOU-UHFFFAOYSA-N

Formula

C6H12OS

SMILES

CCCCSCC=O

Molecular Weight¹

132.22

• 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°	-66.76	kJ/mol	Joback Calculated Property
ΔfH°gas	-210.88	kJ/mol	Joback Calculated Property
ΔfusH°	17.71	kJ/mol	Joback Calculated Property
ΔvapH°	42.49	kJ/mol	Joback Calculated Property
log10WS	-1.50		Crippen Calculated Property
logPoct/wat	1.719		Crippen Calculated Property
McVol	113.320	ml/mol	McGowan Calculated Property
Pc	3448.03	kPa	Joback Calculated Property
I	[1564.00; 1564.00]
I	1564.00		NIST
I	1564.00		NIST
Tboil	454.12	K	Joback Calculated Property
Tc	649.52	K	Joback Calculated Property
Tfus	233.78	K	Joback Calculated Property
Vc	0.443	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[225.08; 281.55]	J/mol×K	[454.12; 649.52]
Cp,gas	225.08	J/mol×K	454.12	Joback Calculated Property
Cp,gas	235.58	J/mol×K	486.69	Joback Calculated Property
Cp,gas	245.65	J/mol×K	519.25	Joback Calculated Property
Cp,gas	255.27	J/mol×K	551.82	Joback Calculated Property
Cp,gas	264.45	J/mol×K	584.39	Joback Calculated Property
Cp,gas	273.21	J/mol×K	616.96	Joback Calculated Property
Cp,gas	281.55	J/mol×K	649.52	Joback Calculated Property

Similar Compounds

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

Sources

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

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