Chemical Properties of isobutyl thiobutyrate

InChI

InChI=1S/C8H16OS/c1-4-5-8(9)10-6-7(2)3/h7H,4-6H2,1-3H3

InChI Key

DUODPBLEEBFAEG-UHFFFAOYSA-N

Formula

C8H16OS

SMILES

CCCC(=O)SCC(C)C

Molecular Weight¹

160.28

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• Δ_fusH° : Enthalpy of fusion at standard conditions (kJ/mol).
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• P_c : Critical Pressure (kPa).
• I_np : Non-polar retention indices.
• T_boil : Normal Boiling Point Temperature (K).
• T_c : Critical Temperature (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ΔfusH°	18.68	kJ/mol	Joback Calculated Property
logPoct/wat	2.702		Crippen Calculated Property
McVol	141.500	ml/mol	McGowan Calculated Property
Pc	2775.92	kPa	Joback Calculated Property
Inp	[1088.00; 1088.00]
Inp	1088.00		NIST
Inp	1088.00		NIST
Tboil	448.32	K	Relay (1.0) Calculated Property
Tc	641.79	K	Relay (1.0) Calculated Property

Cheméo can also estimate Normal melting (fusion) point, Critical Volume, Enthalpy of formation at standard conditions, Enthalpy of vaporization at standard conditions, Standard Gibbs free energy of formation, Acentric Factor, Ionization energy, Log10 of Water solubility in mol/l for this compound, but they fall outside the models' validated range, so they are not shown here. Open the prediction tool to compute them on demand.

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[307.91; 379.48]	J/mol×K	[504.85; 704.91]
Cp,gas	307.91	J/mol×K	504.85	Joback Calculated Property
Cp,gas	321.36	J/mol×K	538.19	Joback Calculated Property
Cp,gas	334.19	J/mol×K	571.54	Joback Calculated Property
Cp,gas	346.40	J/mol×K	604.88	Joback Calculated Property
Cp,gas	358.02	J/mol×K	638.22	Joback Calculated Property
Cp,gas	369.04	J/mol×K	671.57	Joback Calculated Property
Cp,gas	379.48	J/mol×K	704.91	Joback Calculated Property

Similar Compounds

Find more compounds similar to isobutyl thiobutyrate.

Sources

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

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