Chemical Properties of Terephthalic acid, butyl 4,4-dimethylpent-3-yl ester

InChI

InChI=1S/C19H28O4/c1-6-8-13-22-17(20)14-9-11-15(12-10-14)18(21)23-16(7-2)19(3,4)5/h9-12,16H,6-8,13H2,1-5H3

InChI Key

GKZMTNQWLQQSJD-UHFFFAOYSA-N

Formula

C19H28O4

SMILES

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

Molecular Weight¹

320.43

• 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	0.8529		Relay (1.0) Calculated Property
ΔfH°gas	-839.29	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	33.25	kJ/mol	Joback Calculated Property
ΔvapH°	90.26	kJ/mol	Relay (1.0) Calculated Property
log10WS	-5.45		Relay (1.0) Calculated Property
logPoct/wat	4.625		Crippen Calculated Property
McVol	269.690	ml/mol	McGowan Calculated Property
Pc	1471.36	kPa	Joback Calculated Property
Inp	[2300.00; 2300.00]
Inp	2300.00		NIST
Inp	2300.00		NIST
Tboil	622.73	K	Relay (1.0) Calculated Property
Tc	814.81	K	Relay (1.0) Calculated Property
Tfus	315.28	K	Relay (1.0) Calculated Property
Vc	0.982	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	[820.88; 902.07]	J/mol×K	[814.69; 1022.76]
Cp,gas	820.88	J/mol×K	814.69	Joback Calculated Property
Cp,gas	837.19	J/mol×K	849.37	Joback Calculated Property
Cp,gas	852.34	J/mol×K	884.05	Joback Calculated Property
Cp,gas	866.36	J/mol×K	918.73	Joback Calculated Property
Cp,gas	879.29	J/mol×K	953.41	Joback Calculated Property
Cp,gas	891.18	J/mol×K	988.09	Joback Calculated Property
Cp,gas	902.07	J/mol×K	1022.76	Joback Calculated Property
η	[0.0000461; 0.0007029]	Pa×s	[474.57; 814.69]
η	0.0007029	Pa×s	474.57	Joback Calculated Property
η	0.0003503	Pa×s	531.26	Joback Calculated Property
η	0.0001997	Pa×s	587.94	Joback Calculated Property
η	0.0001257	Pa×s	644.63	Joback Calculated Property
η	0.0000852	Pa×s	701.32	Joback Calculated Property
η	0.0000613	Pa×s	758.00	Joback Calculated Property
η	0.0000461	Pa×s	814.69	Joback Calculated Property

Similar Compounds

Find more compounds similar to Terephthalic acid, butyl 4,4-dimethylpent-3-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.