Chemical Properties of Terephthalic acid, isohexyl 4-methylthiophenyl ester

InChI

InChI=1S/C21H24O4S/c1-15(2)5-4-14-24-20(22)16-6-8-17(9-7-16)21(23)25-18-10-12-19(26-3)13-11-18/h6-13,15H,4-5,14H2,1-3H3

InChI Key

XUAZSXDPZFCCTR-UHFFFAOYSA-N

Formula

C21H24O4S

SMILES

CSc1ccc(OC(=O)c2ccc(C(=O)OCCCC(C)C)cc2)cc1

Molecular Weight¹

372.48

• 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°	-105.66	kJ/mol	Joback Calculated Property
ΔfH°gas	-479.66	kJ/mol	Joback Calculated Property
ΔfusH°	43.63	kJ/mol	Joback Calculated Property
ΔvapH°	92.96	kJ/mol	Joback Calculated Property
log10WS	-6.40		Crippen Calculated Property
logPoct/wat	5.221		Crippen Calculated Property
McVol	290.460	ml/mol	McGowan Calculated Property
Pc	1619.37	kPa	Joback Calculated Property
Inp	[3130.00; 3130.00]
Inp	3130.00		NIST
Inp	3130.00		NIST
Tboil	964.12	K	Joback Calculated Property
Tc	1202.55	K	Joback Calculated Property
Tfus	568.03	K	Joback Calculated Property
Vc	1.091	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[890.68; 941.03]	J/mol×K	[964.12; 1202.55]
Cp,gas	890.68	J/mol×K	964.12	Joback Calculated Property
Cp,gas	902.89	J/mol×K	1003.86	Joback Calculated Property
Cp,gas	913.53	J/mol×K	1043.60	Joback Calculated Property
Cp,gas	922.64	J/mol×K	1083.34	Joback Calculated Property
Cp,gas	930.23	J/mol×K	1123.08	Joback Calculated Property
Cp,gas	936.35	J/mol×K	1162.82	Joback Calculated Property
Cp,gas	941.03	J/mol×K	1202.55	Joback Calculated Property

Similar Compounds

Find more compounds similar to Terephthalic acid, isohexyl 4-methylthiophenyl 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.