Chemical Properties of 1,2,4-Benzenetricarboxylic acid, tridecyl ester (iso)

InChI

InChI=1S/C39H66O6/c1-4-7-10-13-16-19-22-25-30-43-37(40)34-28-29-35(38(41)44-31-26-23-20-17-14-11-8-5-2)36(33-34)39(42)45-32-27-24-21-18-15-12-9-6-3/h28-29,33H,4-27,30-32H2,1-3H3

InChI Key

SMYKBXMWXCZOLU-UHFFFAOYSA-N

Formula

C39H66O6

SMILES

CCCCCCCCCCOC(=O)c1ccc(C(=O)OCCCCCCCCCC)c(C(=O)OCCCCCCCCCC)c1

Molecular Weight¹

630.95

Other Names

• tridecyl benzene-1,2,4-tricarboxylate

• 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).
• 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

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.

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[829.67; 1931.10]	J/mol×K	[273.00; 1000.00]	Joback Predicted correlation
Equation			Y = A + B·T + C·T² + D·T³ + E·T⁴ Y is Cp,gas in J/mol×K, T in K
Coefficient A			3.83570e+01
Coefficient B			3.34656e+00
Coefficient C			-1.71112e-03
Coefficient D			2.57300e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	829.67	J/mol×K	273.00	Calculated Property
Cp,gas	1019.53	J/mol×K	353.78	Calculated Property
Cp,gas	1190.61	J/mol×K	434.56	Calculated Property
Cp,gas	1343.74	J/mol×K	515.33	Calculated Property
Cp,gas	1479.74	J/mol×K	596.11	Calculated Property
Cp,gas	1599.41	J/mol×K	676.89	Calculated Property
Cp,gas	1703.56	J/mol×K	757.67	Calculated Property
Cp,gas	1793.02	J/mol×K	838.44	Calculated Property
Cp,gas	1868.59	J/mol×K	919.22	Calculated Property
Cp,gas	1931.10	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0000313; 0.0000014]	Pa×s	[707.74; 1237.23]	Joback Predicted correlation
Equation			Y = exp(A + B/T + C·ln(T) + D·T^E) Y is η in Pa×s, T in K
Coefficient A			-1.75528e+01
Coefficient B			5.08274e+03
Coefficient C			0.00000e+00
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Comment			Liquid phase. Joback/Reid (1987), valid from Tf to 0.7·Tc.
Temperature range, min.			707.74
Temperature range, max.			1237.23
η	0.0000313	Pa×s	707.74	Calculated Property
η	0.0000181	Pa×s	766.57	Calculated Property
η	0.0000113	Pa×s	825.40	Calculated Property
η	0.0000075	Pa×s	884.24	Calculated Property
η	0.0000052	Pa×s	943.07	Calculated Property
η	0.0000038	Pa×s	1001.90	Calculated Property
η	0.0000029	Pa×s	1060.73	Calculated Property
η	0.0000022	Pa×s	1119.56	Calculated Property
η	0.0000018	Pa×s	1178.39	Calculated Property
η	0.0000014	Pa×s	1237.23	Calculated Property

Similar Compounds

Find more compounds similar to 1,2,4-Benzenetricarboxylic acid, tridecyl ester (iso).

Sources

• Cheméo Relay (1.0)
• Cheméo Relay (1.0, beta) Beta: served but experimental, data-limited and below our cross-validation release bar; the Joback value is recommended where available.
• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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