Chemical Properties of Isophthalic acid, decyl 2-propylphenyl ester

InChI

InChI=1S/C27H36O4/c1-3-5-6-7-8-9-10-13-20-30-26(28)23-17-14-18-24(21-23)27(29)31-25-19-12-11-16-22(25)15-4-2/h11-12,14,16-19,21H,3-10,13,15,20H2,1-2H3

InChI Key

NFAZLBSQRNSLOS-UHFFFAOYSA-N

Formula

C27H36O4

SMILES

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

Molecular Weight¹

424.58

• 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	[501.52; 1185.37]	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			-1.00490e+01
Coefficient B			2.18244e+00
Coefficient C			-1.18412e-03
Coefficient D			1.97100e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	501.52	J/mol×K	273.00	Calculated Property
Cp,gas	622.57	J/mol×K	353.78	Calculated Property
Cp,gas	730.91	J/mol×K	434.56	Calculated Property
Cp,gas	827.14	J/mol×K	515.33	Calculated Property
Cp,gas	911.90	J/mol×K	596.11	Calculated Property
Cp,gas	985.81	J/mol×K	676.89	Calculated Property
Cp,gas	1049.49	J/mol×K	757.67	Calculated Property
Cp,gas	1103.56	J/mol×K	838.44	Calculated Property
Cp,gas	1148.64	J/mol×K	919.22	Calculated Property
Cp,gas	1185.37	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0002702; 0.0000283]	Pa×s	[556.59; 855.31]	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			-1.46779e+01
Coefficient B			3.59652e+03
Coefficient C			0.00000e+00
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Temperature range, min.			556.59
Temperature range, max.			855.31
η	0.0002702	Pa×s	556.59	Calculated Property
η	0.0001879	Pa×s	589.78	Calculated Property
η	0.0001357	Pa×s	622.97	Calculated Property
η	0.0001014	Pa×s	656.16	Calculated Property
η	0.0000779	Pa×s	689.36	Calculated Property
η	0.0000613	Pa×s	722.55	Calculated Property
η	0.0000492	Pa×s	755.74	Calculated Property
η	0.0000403	Pa×s	788.93	Calculated Property
η	0.0000335	Pa×s	822.12	Calculated Property
η	0.0000283	Pa×s	855.31	Calculated Property

Similar Compounds

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

Sources

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

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