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

InChI

InChI=1S/C22H34O4/c1-6-8-9-10-11-16-25-20(23)17-12-14-18(15-13-17)21(24)26-19(7-2)22(3,4)5/h12-15,19H,6-11,16H2,1-5H3

InChI Key

WQBGNDWTFQBVMF-UHFFFAOYSA-N

Formula

C22H34O4

SMILES

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

Molecular Weight¹

362.50

• 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	0.9734		Relay (1.0) Calculated Property
ΔfH°gas	-898.27	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	41.02	kJ/mol	Joback Calculated Property
ΔvapH°	99.44	kJ/mol	Relay (1.0) Calculated Property
log10WS	-6.37		Relay (1.0) Calculated Property
logPoct/wat	5.795		Crippen Calculated Property
McVol	311.960	ml/mol	McGowan Calculated Property
Pc	1193.17	kPa	Joback Calculated Property
Inp	[2612.00; 2612.00]
Inp	2612.00		NIST
Inp	2612.00		NIST
Tboil	645.86	K	Relay (1.0) Calculated Property
Tc	843.01	K	Relay (1.0) Calculated Property
Tfus	323.34	K	Relay (1.0) Calculated Property
Vc	1.145	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	[998.32; 1081.10]	J/mol×K	[883.33; 1091.23]
Cp,gas	998.32	J/mol×K	883.33	Joback Calculated Property
Cp,gas	1015.05	J/mol×K	917.98	Joback Calculated Property
Cp,gas	1030.54	J/mol×K	952.63	Joback Calculated Property
Cp,gas	1044.85	J/mol×K	987.28	Joback Calculated Property
Cp,gas	1058.01	J/mol×K	1021.93	Joback Calculated Property
Cp,gas	1070.07	J/mol×K	1056.58	Joback Calculated Property
Cp,gas	1081.10	J/mol×K	1091.23	Joback Calculated Property
η	[0.0000294; 0.0004944]	Pa×s	[508.38; 883.33]
η	0.0004944	Pa×s	508.38	Joback Calculated Property
η	0.0002388	Pa×s	570.87	Joback Calculated Property
η	0.0001332	Pa×s	633.36	Joback Calculated Property
η	0.0000825	Pa×s	695.86	Joback Calculated Property
η	0.0000553	Pa×s	758.35	Joback Calculated Property
η	0.0000394	Pa×s	820.84	Joback Calculated Property
η	0.0000294	Pa×s	883.33	Joback Calculated Property

Similar Compounds

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