Chemical Properties of Terephthalic acid, di(4-methylpent-2-yl) ester

InChI

InChI=1S/C20H30O4/c1-13(2)11-15(5)23-19(21)17-7-9-18(10-8-17)20(22)24-16(6)12-14(3)4/h7-10,13-16H,11-12H2,1-6H3

InChI Key

KSTYDRQJWZTRRO-UHFFFAOYSA-N

Formula

C20H30O4

SMILES

CC(C)CC(C)OC(=O)c1ccc(C(=O)OC(C)CC(C)C)cc1

Molecular Weight¹

334.45

• ω : Acentric Factor.
• C_p,gas : Ideal gas heat capacity (J/mol×K).
• η : Dynamic viscosity (Pa×s).
• Δ_fusH° : Enthalpy of fusion at standard conditions (kJ/mol).
• Δ_vapH° : Enthalpy of vaporization at standard conditions (kJ/mol).
• IE : Ionization energy (eV).
• 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).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ω	0.8524		Relay (1.0) Calculated Property
ΔfusH°	35.85	kJ/mol	Joback Calculated Property
ΔvapH°	95.28	kJ/mol	Relay (1.0) Calculated Property
IE	9.32	eV	Relay (1.0) Calculated Property
log10WS	-5.29		Relay (1.0) Calculated Property
logPoct/wat	4.869		Crippen Calculated Property
McVol	283.780	ml/mol	McGowan Calculated Property
Pc	1293.93	kPa	Joback Calculated Property
Inp	[2195.00; 2195.00]
Inp	2195.00		NIST
Inp	2195.00		NIST
Tboil	613.05	K	Relay (1.0) Calculated Property
Tc	810.43	K	Relay (1.0) Calculated Property
Tfus	307.73	K	Relay (1.0) Calculated Property

Cheméo can also estimate Critical Volume, Enthalpy of formation at standard conditions, Standard Gibbs free energy of formation 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	[866.36; 950.05]	J/mol×K	[803.54; 1006.86]
Cp,gas	866.36	J/mol×K	803.54	Joback Calculated Property
Cp,gas	883.51	J/mol×K	837.43	Joback Calculated Property
Cp,gas	899.34	J/mol×K	871.31	Joback Calculated Property
Cp,gas	913.89	J/mol×K	905.20	Joback Calculated Property
Cp,gas	927.17	J/mol×K	939.09	Joback Calculated Property
Cp,gas	939.21	J/mol×K	972.97	Joback Calculated Property
Cp,gas	950.05	J/mol×K	1006.86	Joback Calculated Property
η	[0.0000303; 0.0023165]	Pa×s	[378.76; 803.54]
η	0.0023165	Pa×s	378.76	Joback Calculated Property
η	0.0006366	Pa×s	449.56	Joback Calculated Property
η	0.0002486	Pa×s	520.35	Joback Calculated Property
η	0.0001216	Pa×s	591.15	Joback Calculated Property
η	0.0000693	Pa×s	661.95	Joback Calculated Property
η	0.0000441	Pa×s	732.74	Joback Calculated Property
η	0.0000303	Pa×s	803.54	Joback Calculated Property

Similar Compounds

Find more compounds similar to Terephthalic acid, di(4-methylpent-2-yl) ester.

Sources

• Cheméo Relay (1.0)
• 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.
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