Chemical Properties of Terephthalic acid, heptyl 2,4,4-trimethylpentyl ester

InChI

InChI=1S/C23H36O4/c1-6-7-8-9-10-15-26-21(24)19-11-13-20(14-12-19)22(25)27-17-18(2)16-23(3,4)5/h11-14,18H,6-10,15-17H2,1-5H3

InChI Key

DOLUYRZCYWOENS-UHFFFAOYSA-N

Formula

C23H36O4

SMILES

CCCCCCCOC(=O)c1ccc(C(=O)OCC(C)CC(C)(C)C)cc1

Molecular Weight¹

376.53

• 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	1.0121		Relay (1.0) Calculated Property
ΔfH°gas	-932.26	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	43.62	kJ/mol	Joback Calculated Property
ΔvapH°	101.42	kJ/mol	Relay (1.0) Calculated Property
log10WS	-6.86		Relay (1.0) Calculated Property
logPoct/wat	6.043		Crippen Calculated Property
McVol	326.050	ml/mol	McGowan Calculated Property
Pc	1117.81	kPa	Joback Calculated Property
Inp	[2770.00; 2770.00]
Inp	2770.00		NIST
Inp	2770.00		NIST
Tboil	658.66	K	Relay (1.0) Calculated Property
Tc	848.43	K	Relay (1.0) Calculated Property
Tfus	308.52	K	Relay (1.0) Calculated Property
Vc	1.203	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	[1058.87; 1142.12]	J/mol×K	[906.21; 1115.53]
Cp,gas	1058.87	J/mol×K	906.21	Joback Calculated Property
Cp,gas	1075.76	J/mol×K	941.10	Joback Calculated Property
Cp,gas	1091.37	J/mol×K	975.98	Joback Calculated Property
Cp,gas	1105.75	J/mol×K	1010.87	Joback Calculated Property
Cp,gas	1118.97	J/mol×K	1045.76	Joback Calculated Property
Cp,gas	1131.08	J/mol×K	1080.64	Joback Calculated Property
Cp,gas	1142.12	J/mol×K	1115.53	Joback Calculated Property
η	[0.0000252; 0.0004367]	Pa×s	[519.65; 906.21]
η	0.0004367	Pa×s	519.65	Joback Calculated Property
η	0.0002089	Pa×s	584.08	Joback Calculated Property
η	0.0001157	Pa×s	648.50	Joback Calculated Property
η	0.0000713	Pa×s	712.93	Joback Calculated Property
η	0.0000476	Pa×s	777.36	Joback Calculated Property
η	0.0000338	Pa×s	841.78	Joback Calculated Property
η	0.0000252	Pa×s	906.21	Joback Calculated Property

Similar Compounds

Find more compounds similar to Terephthalic acid, heptyl 2,4,4-trimethylpentyl 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.