Chemical Properties of Terephthalic acid, dodecyl 2-methylpent-3-yl ester

InChI

InChI=1S/C26H42O4/c1-5-7-8-9-10-11-12-13-14-15-20-29-25(27)22-16-18-23(19-17-22)26(28)30-24(6-2)21(3)4/h16-19,21,24H,5-15,20H2,1-4H3

InChI Key

DLLJDYCLMZWQAO-UHFFFAOYSA-N

Formula

C26H42O4

SMILES

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

Molecular Weight¹

418.61

• 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	1.1574		Relay (1.0) Calculated Property
ΔfH°gas	-981.57	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	58.44	kJ/mol	Joback Calculated Property
ΔvapH°	120.55	kJ/mol	Relay (1.0) Calculated Property
log10WS	-7.22		Relay (1.0) Calculated Property
logPoct/wat	7.356		Crippen Calculated Property
McVol	368.320	ml/mol	McGowan Calculated Property
Pc	879.48	kPa	Joback Calculated Property
Inp	[2957.00; 2957.00]
Inp	2957.00		NIST
Inp	2957.00		NIST
Tboil	677.19	K	Relay (1.0) Calculated Property
Tc	874.22	K	Relay (1.0) Calculated Property
Tfus	297.47	K	Relay (1.0) Calculated Property
Vc	1.374	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	[1228.36; 1310.56]	J/mol×K	[941.70; 1153.02]
Cp,gas	1228.36	J/mol×K	941.70	Joback Calculated Property
Cp,gas	1245.83	J/mol×K	976.92	Joback Calculated Property
Cp,gas	1261.73	J/mol×K	1012.14	Joback Calculated Property
Cp,gas	1276.10	J/mol×K	1047.36	Joback Calculated Property
Cp,gas	1289.00	J/mol×K	1082.58	Joback Calculated Property
Cp,gas	1300.47	J/mol×K	1117.80	Joback Calculated Property
Cp,gas	1310.56	J/mol×K	1153.02	Joback Calculated Property
η	[0.0000143; 0.0005975]	Pa×s	[476.38; 941.70]
η	0.0005975	Pa×s	476.38	Joback Calculated Property
η	0.0002077	Pa×s	553.93	Joback Calculated Property
η	0.0000936	Pa×s	631.49	Joback Calculated Property
η	0.0000502	Pa×s	709.04	Joback Calculated Property
η	0.0000304	Pa×s	786.59	Joback Calculated Property
η	0.0000202	Pa×s	864.15	Joback Calculated Property
η	0.0000143	Pa×s	941.70	Joback Calculated Property

Similar Compounds

Find more compounds similar to Terephthalic acid, dodecyl 2-methylpent-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.
These property values are available through the Cheméo API. A free account gives you an access key.