Chemical Properties of Isophthalic acid, decyl hex-3-yl ester

InChI

InChI=1S/C24H38O4/c1-4-7-8-9-10-11-12-13-18-27-23(25)20-16-14-17-21(19-20)24(26)28-22(6-3)15-5-2/h14,16-17,19,22H,4-13,15,18H2,1-3H3

InChI Key

DFHPTJHGOBPJKF-UHFFFAOYSA-N

Formula

C24H38O4

SMILES

CCCCCCCCCCOC(=O)c1cccc(C(=O)OC(CC)CCC)c1

Molecular Weight¹

390.56

• 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	[492.27; 1152.70]	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			1.06020e+01
Coefficient B			2.04176e+00
Coefficient C			-1.05996e-03
Coefficient D			1.60300e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	492.27	J/mol×K	273.00	Calculated Property
Cp,gas	607.37	J/mol×K	353.78	Calculated Property
Cp,gas	710.85	J/mol×K	434.56	Calculated Property
Cp,gas	803.24	J/mol×K	515.33	Calculated Property
Cp,gas	885.02	J/mol×K	596.11	Calculated Property
Cp,gas	956.71	J/mol×K	676.89	Calculated Property
Cp,gas	1018.82	J/mol×K	757.67	Calculated Property
Cp,gas	1071.85	J/mol×K	838.44	Calculated Property
Cp,gas	1116.31	J/mol×K	919.22	Calculated Property
Cp,gas	1152.70	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0006614; 0.0000399]	Pa×s	[468.84; 769.66]	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			-1.45084e+01
Coefficient B			3.36970e+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.			468.84
Temperature range, max.			769.66
η	0.0006614	Pa×s	468.84	Calculated Property
η	0.0004100	Pa×s	502.26	Calculated Property
η	0.0002698	Pa×s	535.69	Calculated Property
η	0.0001864	Pa×s	569.11	Calculated Property
η	0.0001342	Pa×s	602.54	Calculated Property
η	0.0001001	Pa×s	635.96	Calculated Property
η	0.0000768	Pa×s	669.38	Calculated Property
η	0.0000604	Pa×s	702.81	Calculated Property
η	0.0000486	Pa×s	736.23	Calculated Property
η	0.0000399	Pa×s	769.66	Calculated Property

Similar Compounds

Find more compounds similar to Isophthalic acid, decyl hex-3-yl ester.

Sources

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

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