Chemical Properties of Succinic acid, isobutyl 4-methylthiophenyl ester

InChI

InChI=1S/C15H20O4S/c1-11(2)10-18-14(16)8-9-15(17)19-12-4-6-13(20-3)7-5-12/h4-7,11H,8-10H2,1-3H3

InChI Key

CKQKBWJIDRXIHN-UHFFFAOYSA-N

Formula

C15H20O4S

SMILES

CSc1ccc(OC(=O)CCC(=O)OCC(C)C)cc1

Molecular Weight¹

296.38

• 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°	-258.96	kJ/mol	Joback Calculated Property
ΔfH°gas	-580.88	kJ/mol	Joback Calculated Property
ΔfusH°	34.44	kJ/mol	Joback Calculated Property
ΔvapH°	76.66	kJ/mol	Joback Calculated Property
log10WS	-3.66		Crippen Calculated Property
logPoct/wat	3.293		Crippen Calculated Property
McVol	229.680	ml/mol	McGowan Calculated Property
Pc	2019.95	kPa	Joback Calculated Property
Inp	[2257.00; 2257.00]
Inp	2257.00		NIST
Inp	2257.00		NIST
Tboil	795.18	K	Joback Calculated Property
Tc	1015.72	K	Joback Calculated Property
Tfus	461.47	K	Joback Calculated Property
Vc	0.864	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[649.88; 717.22]	J/mol×K	[795.18; 1015.72]
Cp,gas	649.88	J/mol×K	795.18	Joback Calculated Property
Cp,gas	663.99	J/mol×K	831.94	Joback Calculated Property
Cp,gas	676.95	J/mol×K	868.69	Joback Calculated Property
Cp,gas	688.74	J/mol×K	905.45	Joback Calculated Property
Cp,gas	699.38	J/mol×K	942.20	Joback Calculated Property
Cp,gas	708.88	J/mol×K	978.96	Joback Calculated Property
Cp,gas	717.22	J/mol×K	1015.72	Joback Calculated Property

Similar Compounds

Find more compounds similar to Succinic acid, isobutyl 4-methylthiophenyl ester.

Sources

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

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