Chemical Properties of Isophthalic acid, 2,6-dimethoxyphenyl octyl ester

InChI

InChI=1S/C24H30O6/c1-4-5-6-7-8-9-16-29-23(25)18-12-10-13-19(17-18)24(26)30-22-20(27-2)14-11-15-21(22)28-3/h10-15,17H,4-9,16H2,1-3H3

InChI Key

XSFLZJSXZYHCGP-UHFFFAOYSA-N

Formula

C24H30O6

SMILES

CCCCCCCCOC(=O)c1cccc(C(=O)Oc2c(OC)cccc2OC)c1

Molecular Weight¹

414.49

• 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	[471.23; 1064.56]	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			5.79770e+01
Coefficient B			1.71156e+00
Coefficient C			-7.31880e-04
Coefficient D			2.69000e-08
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	471.23	J/mol×K	273.00	Calculated Property
Cp,gas	573.08	J/mol×K	353.78	Calculated Property
Cp,gas	665.75	J/mol×K	434.56	Calculated Property
Cp,gas	749.32	J/mol×K	515.33	Calculated Property
Cp,gas	823.88	J/mol×K	596.11	Calculated Property
Cp,gas	889.52	J/mol×K	676.89	Calculated Property
Cp,gas	946.33	J/mol×K	757.67	Calculated Property
Cp,gas	994.38	J/mol×K	838.44	Calculated Property
Cp,gas	1033.76	J/mol×K	919.22	Calculated Property
Cp,gas	1064.56	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0001610; 0.0000246]	Pa×s	[579.76; 840.89]	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			-1.47829e+01
Coefficient B			3.50696e+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.			579.76
Temperature range, max.			840.89
η	0.0001610	Pa×s	579.76	Calculated Property
η	0.0001207	Pa×s	608.77	Calculated Property
η	0.0000929	Pa×s	637.79	Calculated Property
η	0.0000731	Pa×s	666.80	Calculated Property
η	0.0000587	Pa×s	695.82	Calculated Property
η	0.0000480	Pa×s	724.83	Calculated Property
η	0.0000398	Pa×s	753.85	Calculated Property
η	0.0000335	Pa×s	782.86	Calculated Property
η	0.0000286	Pa×s	811.88	Calculated Property
η	0.0000246	Pa×s	840.89	Calculated Property

Similar Compounds

Find more compounds similar to Isophthalic acid, 2,6-dimethoxyphenyl octyl ester.

Sources

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

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