Chemical Properties of Phthalic acid, isobutyl 2-(methylthio)phenyl ester

InChI

InChI=1S/C19H20O4S/c1-13(2)12-22-18(20)14-8-4-5-9-15(14)19(21)23-16-10-6-7-11-17(16)24-3/h4-11,13H,12H2,1-3H3

InChI Key

DDZKFPIKKWYWSZ-UHFFFAOYSA-N

Formula

C19H20O4S

SMILES

CSc1ccccc1OC(=O)c1ccccc1C(=O)OCC(C)C

Molecular Weight¹

344.43

• 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°	-122.50	kJ/mol	Joback Calculated Property
ΔfH°gas	-438.38	kJ/mol	Joback Calculated Property
ΔfusH°	38.45	kJ/mol	Joback Calculated Property
ΔvapH°	88.50	kJ/mol	Joback Calculated Property
log10WS	-5.56		Crippen Calculated Property
logPoct/wat	4.440		Crippen Calculated Property
McVol	262.280	ml/mol	McGowan Calculated Property
Pc	1901.92	kPa	Joback Calculated Property
Inp	[2723.00; 2723.00]
Inp	2723.00		NIST
Inp	2723.00		NIST
Tboil	918.36	K	Joback Calculated Property
Tc	1160.99	K	Joback Calculated Property
Tfus	545.49	K	Joback Calculated Property
Vc	0.980	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[775.28; 826.74]	J/mol×K	[918.36; 1160.99]
Cp,gas	775.28	J/mol×K	918.36	Joback Calculated Property
Cp,gas	787.61	J/mol×K	958.80	Joback Calculated Property
Cp,gas	798.40	J/mol×K	999.24	Joback Calculated Property
Cp,gas	807.69	J/mol×K	1039.68	Joback Calculated Property
Cp,gas	815.49	J/mol×K	1080.11	Joback Calculated Property
Cp,gas	821.83	J/mol×K	1120.55	Joback Calculated Property
Cp,gas	826.74	J/mol×K	1160.99	Joback Calculated Property

Similar Compounds

Find more compounds similar to Phthalic acid, isobutyl 2-(methylthio)phenyl ester.

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.