Chemical Properties of Isophthalic acid, 3-methylbutyl tridecyl ester

InChI

InChI=1S/C26H42O4/c1-4-5-6-7-8-9-10-11-12-13-14-19-29-25(27)23-16-15-17-24(21-23)26(28)30-20-18-22(2)3/h15-17,21-22H,4-14,18-20H2,1-3H3

InChI Key

IWRPQJKOCVHKEZ-UHFFFAOYSA-N

Formula

C26H42O4

SMILES

CCCCCCCCCCCCCOC(=O)c1cccc(C(=O)OCCC(C)C)c1

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).
• IE : Ionization energy (eV).
• 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

Cheméo can also estimate Standard Gibbs free energy of formation for this compound, but it falls outside the models' validated range, so it is not shown here. Open the prediction tool to compute it on demand.

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[534.69; 1255.88]	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			8.78400e+00
Coefficient B			2.23176e+00
Coefficient C			-1.16876e-03
Coefficient D			1.84100e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	534.69	J/mol×K	273.00	Calculated Property
Cp,gas	660.20	J/mol×K	353.78	Calculated Property
Cp,gas	773.01	J/mol×K	434.56	Calculated Property
Cp,gas	873.69	J/mol×K	515.33	Calculated Property
Cp,gas	962.84	J/mol×K	596.11	Calculated Property
Cp,gas	1041.03	J/mol×K	676.89	Calculated Property
Cp,gas	1108.85	J/mol×K	757.67	Calculated Property
Cp,gas	1166.88	J/mol×K	838.44	Calculated Property
Cp,gas	1215.69	J/mol×K	919.22	Calculated Property
Cp,gas	1255.88	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0005024; 0.0000295]	Pa×s	[491.38; 807.41]	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			-1.48370e+01
Coefficient B			3.55802e+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.			491.38
Temperature range, max.			807.41
η	0.0005024	Pa×s	491.38	Calculated Property
η	0.0003099	Pa×s	526.49	Calculated Property
η	0.0002031	Pa×s	561.61	Calculated Property
η	0.0001399	Pa×s	596.72	Calculated Property
η	0.0001005	Pa×s	631.84	Calculated Property
η	0.0000747	Pa×s	666.95	Calculated Property
η	0.0000572	Pa×s	702.07	Calculated Property
η	0.0000449	Pa×s	737.18	Calculated Property
η	0.0000361	Pa×s	772.30	Calculated Property
η	0.0000295	Pa×s	807.41	Calculated Property

Similar Compounds

Find more compounds similar to Isophthalic acid, 3-methylbutyl tridecyl ester.

Sources

• Cheméo Relay (1.0)
• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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