Chemical Properties of 2-[Isobutylthio]ethanal

InChI

InChI=1S/C6H12OS/c1-6(2)5-8-4-3-7/h3,6H,4-5H2,1-2H3

InChI Key

GAJKCQHEVMCMEJ-UHFFFAOYSA-N

Formula

C6H12OS

SMILES

CC(C)CSCC=O

Molecular Weight¹

132.22

• 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 : 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	0.3683		Relay (1.0) Calculated Property
ΔfG°	-69.20	kJ/mol	Joback Calculated Property
ΔfH°gas	-226.17	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	14.19	kJ/mol	Joback Calculated Property
ΔvapH°	50.83	kJ/mol	Relay (1.0) Calculated Property
IE	8.89	eV	Relay (1.0) Calculated Property
log10WS	-1.24		Relay (1.0) Calculated Property
logPoct/wat	1.575		Crippen Calculated Property
McVol	113.320	ml/mol	McGowan Calculated Property
Pc	3480.65	kPa	Joback Calculated Property
I	[1479.00; 1479.00]
I	1479.00		NIST
I	1479.00		NIST
Tboil	455.84	K	Relay (1.0) Calculated Property
Tc	650.39	K	Relay (1.0) Calculated Property
Tfus	224.50	K	Relay (1.0) Calculated Property
Vc	0.385	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[225.23; 283.25]	J/mol×K	[453.68; 653.63]
Cp,gas	225.23	J/mol×K	453.68	Joback Calculated Property
Cp,gas	236.07	J/mol×K	487.00	Joback Calculated Property
Cp,gas	246.43	J/mol×K	520.33	Joback Calculated Property
Cp,gas	256.33	J/mol×K	553.65	Joback Calculated Property
Cp,gas	265.75	J/mol×K	586.98	Joback Calculated Property
Cp,gas	274.73	J/mol×K	620.30	Joback Calculated Property
Cp,gas	283.25	J/mol×K	653.63	Joback Calculated Property

Similar Compounds

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

Sources

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

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