Chemical Properties of Isophthalic acid, 2-propylphenyl tridecyl ester

InChI

InChI=1S/C30H42O4/c1-3-5-6-7-8-9-10-11-12-13-16-23-33-29(31)26-20-17-21-27(24-26)30(32)34-28-22-15-14-19-25(28)18-4-2/h14-15,17,19-22,24H,3-13,16,18,23H2,1-2H3

InChI Key

XAEZBVGHKBDCLK-UHFFFAOYSA-N

Formula

C30H42O4

SMILES

CCCCCCCCCCCCCOC(=O)c1cccc(C(=O)Oc2ccccc2CCC)c1

Molecular Weight¹

466.66

• 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

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	[565.16; 1340.14]	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			-1.27760e+01
Coefficient B			2.46744e+00
Coefficient C			-1.34732e-03
Coefficient D			2.32800e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	565.16	J/mol×K	273.00	Calculated Property
Cp,gas	701.83	J/mol×K	353.78	Calculated Property
Cp,gas	824.14	J/mol×K	434.56	Calculated Property
Cp,gas	932.83	J/mol×K	515.33	Calculated Property
Cp,gas	1028.64	J/mol×K	596.11	Calculated Property
Cp,gas	1112.29	J/mol×K	676.89	Calculated Property
Cp,gas	1184.54	J/mol×K	757.67	Calculated Property
Cp,gas	1246.10	J/mol×K	838.44	Calculated Property
Cp,gas	1297.72	J/mol×K	919.22	Calculated Property
Cp,gas	1340.14	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0001822; 0.0000178]	Pa×s	[590.40; 914.31]	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			-1.51804e+01
Coefficient B			3.87900e+03
Coefficient C			0.00000e+00
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Temperature range, min.			590.40
Temperature range, max.			914.31
η	0.0001822	Pa×s	590.40	Calculated Property
η	0.0001249	Pa×s	626.39	Calculated Property
η	0.0000892	Pa×s	662.38	Calculated Property
η	0.0000660	Pa×s	698.37	Calculated Property
η	0.0000503	Pa×s	734.36	Calculated Property
η	0.0000393	Pa×s	770.35	Calculated Property
η	0.0000314	Pa×s	806.34	Calculated Property
η	0.0000255	Pa×s	842.33	Calculated Property
η	0.0000211	Pa×s	878.32	Calculated Property
η	0.0000178	Pa×s	914.31	Calculated Property

Similar Compounds

Find more compounds similar to Isophthalic acid, 2-propylphenyl tridecyl ester.

Sources

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

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