Chemical Properties of Terephthalic acid, 4,4-dimethylpent-2-yl nonyl ester

InChI

InChI=1S/C24H38O4/c1-6-7-8-9-10-11-12-17-27-22(25)20-13-15-21(16-14-20)23(26)28-19(2)18-24(3,4)5/h13-16,19H,6-12,17-18H2,1-5H3

InChI Key

TZHMAYRMFCJTMT-UHFFFAOYSA-N

Formula

C24H38O4

SMILES

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

Molecular Weight¹

390.56

• 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	1.0507		Relay (1.0) Calculated Property
ΔfH°gas	-953.83	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	46.20	kJ/mol	Joback Calculated Property
ΔvapH°	106.83	kJ/mol	Relay (1.0) Calculated Property
log10WS	-6.89		Relay (1.0) Calculated Property
logPoct/wat	6.575		Crippen Calculated Property
McVol	340.140	ml/mol	McGowan Calculated Property
Pc	1049.37	kPa	Joback Calculated Property
Inp	[2303.00; 2303.00]
Inp	2303.00		NIST
Inp	2303.00		NIST
Tboil	656.75	K	Relay (1.0) Calculated Property
Tc	851.32	K	Relay (1.0) Calculated Property
Tfus	325.97	K	Relay (1.0) Calculated Property
Vc	1.268	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	[1120.03; 1203.78]	J/mol×K	[929.09; 1140.66]
Cp,gas	1120.03	J/mol×K	929.09	Joback Calculated Property
Cp,gas	1137.08	J/mol×K	964.35	Joback Calculated Property
Cp,gas	1152.82	J/mol×K	999.61	Joback Calculated Property
Cp,gas	1167.30	J/mol×K	1034.87	Joback Calculated Property
Cp,gas	1180.59	J/mol×K	1070.14	Joback Calculated Property
Cp,gas	1192.72	J/mol×K	1105.40	Joback Calculated Property
Cp,gas	1203.78	J/mol×K	1140.66	Joback Calculated Property
η	[0.0000216; 0.0003846]	Pa×s	[530.92; 929.09]
η	0.0003846	Pa×s	530.92	Joback Calculated Property
η	0.0001823	Pa×s	597.28	Joback Calculated Property
η	0.0001003	Pa×s	663.64	Joback Calculated Property
η	0.0000616	Pa×s	730.00	Joback Calculated Property
η	0.0000410	Pa×s	796.37	Joback Calculated Property
η	0.0000290	Pa×s	862.73	Joback Calculated Property
η	0.0000216	Pa×s	929.09	Joback Calculated Property

Similar Compounds

Find more compounds similar to Terephthalic acid, 4,4-dimethylpent-2-yl nonyl 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.