Chemical Properties of Terephthalic acid, 4-methylpent-2-yl tetradecyl ester

InChI

InChI=1S/C28H46O4/c1-5-6-7-8-9-10-11-12-13-14-15-16-21-31-27(29)25-17-19-26(20-18-25)28(30)32-24(4)22-23(2)3/h17-20,23-24H,5-16,21-22H2,1-4H3

InChI Key

OWELQUMXXHCIQE-UHFFFAOYSA-N

Formula

C28H46O4

SMILES

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

Molecular Weight¹

446.67

• ω : Acentric Factor.
• C_p,gas : Ideal gas heat capacity (J/mol×K).
• η : Dynamic viscosity (Pa×s).
• 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
ω	1.2284		Relay (1.0) Calculated Property
ΔfH°gas	-1032.61	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	60.46	kJ/mol	Joback Calculated Property
ΔvapH°	127.20	kJ/mol	Relay (1.0) Calculated Property
log10WS	-7.83		Relay (1.0) Calculated Property
logPoct/wat	8.136		Crippen Calculated Property
McVol	396.500	ml/mol	McGowan Calculated Property
Pc	824.79	kPa	Joback Calculated Property
Inp	[3154.00; 3154.00]
Inp	3154.00		NIST
Inp	3154.00		NIST
Tboil	683.25	K	Relay (1.0) Calculated Property
Tc	880.87	K	Relay (1.0) Calculated Property
Tfus	303.93	K	Relay (1.0) Calculated Property
Vc	1.491	m3/kmol	Relay (1.0) Calculated Property

Cheméo can also estimate Standard Gibbs free energy of formation, Ionization energy 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	[1370.15; 1452.37]	J/mol×K	[1023.40; 1255.68]
Cp,gas	1370.15	J/mol×K	1023.40	Joback Calculated Property
Cp,gas	1388.07	J/mol×K	1062.11	Joback Calculated Property
Cp,gas	1404.21	J/mol×K	1100.83	Joback Calculated Property
Cp,gas	1418.64	J/mol×K	1139.54	Joback Calculated Property
Cp,gas	1431.44	J/mol×K	1178.25	Joback Calculated Property
Cp,gas	1442.65	J/mol×K	1216.97	Joback Calculated Property
Cp,gas	1452.37	J/mol×K	1255.68	Joback Calculated Property
η	[0.0000138; 0.0002898]	Pa×s	[558.58; 1023.40]
η	0.0002898	Pa×s	558.58	Joback Calculated Property
η	0.0001282	Pa×s	636.05	Joback Calculated Property
η	0.0000677	Pa×s	713.52	Joback Calculated Property
η	0.0000405	Pa×s	790.99	Joback Calculated Property
η	0.0000266	Pa×s	868.46	Joback Calculated Property
η	0.0000187	Pa×s	945.93	Joback Calculated Property
η	0.0000138	Pa×s	1023.40	Joback Calculated Property

Similar Compounds

Find more compounds similar to Terephthalic acid, 4-methylpent-2-yl tetradecyl 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.