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

• 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°	-69.20	kJ/mol	Joback Calculated Property
ΔfH°gas	-216.16	kJ/mol	Joback Calculated Property
ΔfusH°	14.19	kJ/mol	Joback Calculated Property
ΔvapH°	42.10	kJ/mol	Joback Calculated Property
log10WS	-1.26		Crippen 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	453.68	K	Joback Calculated Property
Tc	653.63	K	Joback Calculated Property
Tfus	218.78	K	Joback Calculated Property
Vc	0.436	m3/kmol	Joback 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

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

Note: Cheméo is only indexing the data, follow the source links to retrieve the latest data. The source is also providing more information like the publication year, authors and more. Take the time to validate and double check the source of the data.