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

InChI

InChI=1S/C28H46O4/c1-6-7-8-9-10-11-12-13-14-15-20-31-26(29)24-16-18-25(19-17-24)27(30)32-22-23(2)21-28(3,4)5/h16-19,23H,6-15,20-22H2,1-5H3

InChI Key

OAXUPECMUBLCEG-UHFFFAOYSA-N

Formula

C28H46O4

SMILES

CCCCCCCCCCCCOC(=O)c1ccc(C(=O)OCC(C)CC(C)(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	1.1957		Relay (1.0) Calculated Property
ΔfH°gas	-1035.56	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	56.57	kJ/mol	Joback Calculated Property
ΔvapH°	121.14	kJ/mol	Relay (1.0) Calculated Property
log10WS	-8.26		Relay (1.0) Calculated Property
logPoct/wat	7.993		Crippen Calculated Property
McVol	396.500	ml/mol	McGowan Calculated Property
Pc	830.02	kPa	Joback Calculated Property
Inp	[3277.00; 3277.00]
Inp	3277.00		NIST
Inp	3277.00		NIST
Tboil	693.46	K	Relay (1.0) Calculated Property
Tc	886.27	K	Relay (1.0) Calculated Property
Tfus	315.48	K	Relay (1.0) Calculated Property
Vc	1.478	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	[1369.73; 1456.30]	J/mol×K	[1020.61; 1250.70]
Cp,gas	1369.73	J/mol×K	1020.61	Joback Calculated Property
Cp,gas	1387.78	J/mol×K	1058.96	Joback Calculated Property
Cp,gas	1404.26	J/mol×K	1097.31	Joback Calculated Property
Cp,gas	1419.26	J/mol×K	1135.65	Joback Calculated Property
Cp,gas	1432.88	J/mol×K	1174.00	Joback Calculated Property
Cp,gas	1445.19	J/mol×K	1212.35	Joback Calculated Property
Cp,gas	1456.30	J/mol×K	1250.70	Joback Calculated Property
η	[0.0000114; 0.0002256]	Pa×s	[576.00; 1020.61]
η	0.0002256	Pa×s	576.00	Joback Calculated Property
η	0.0001033	Pa×s	650.10	Joback Calculated Property
η	0.0000556	Pa×s	724.20	Joback Calculated Property
η	0.0000335	Pa×s	798.30	Joback Calculated Property
η	0.0000220	Pa×s	872.41	Joback Calculated Property
η	0.0000155	Pa×s	946.51	Joback Calculated Property
η	0.0000114	Pa×s	1020.61	Joback Calculated Property

Similar Compounds

Find more compounds similar to Terephthalic acid, dodecyl 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.