Chemical Properties of isopropyl thiobutyrate

InChI

InChI=1S/C7H14OS/c1-4-5-7(8)9-6(2)3/h6H,4-5H2,1-3H3

InChI Key

QWILNQBBMPJVDW-UHFFFAOYSA-N

Formula

C7H14OS

SMILES

CCCC(=O)SC(C)C

Molecular Weight¹

146.25

• 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_np : Non-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°	-90.18	kJ/mol	Joback Calculated Property
ΔfH°gas	-263.80	kJ/mol	Joback Calculated Property
ΔfusH°	16.09	kJ/mol	Joback Calculated Property
ΔvapH°	44.35	kJ/mol	Joback Calculated Property
log10WS	-2.52		Crippen Calculated Property
logPoct/wat	2.455		Crippen Calculated Property
McVol	127.410	ml/mol	McGowan Calculated Property
Pc	3079.57	kPa	Joback Calculated Property
Inp	[976.00; 976.00]
Inp	976.00		NIST
Inp	976.00		NIST
Inp	976.00		NIST
Tboil	481.77	K	Joback Calculated Property
Tc	684.48	K	Joback Calculated Property
Tfus	237.98	K	Joback Calculated Property
Vc	0.481	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[264.67; 330.71]	J/mol×K	[481.77; 684.48]
Cp,gas	264.67	J/mol×K	481.77	Joback Calculated Property
Cp,gas	277.06	J/mol×K	515.56	Joback Calculated Property
Cp,gas	288.88	J/mol×K	549.34	Joback Calculated Property
Cp,gas	300.15	J/mol×K	583.13	Joback Calculated Property
Cp,gas	310.87	J/mol×K	616.91	Joback Calculated Property
Cp,gas	321.06	J/mol×K	650.70	Joback Calculated Property
Cp,gas	330.71	J/mol×K	684.48	Joback Calculated Property

Similar Compounds

Find more compounds similar to isopropyl thiobutyrate.

Sources

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

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