Chemical Properties of Isophthalic acid, butyl 3-methylpentyl ester

InChI

InChI=1S/C18H26O4/c1-4-6-11-21-17(19)15-8-7-9-16(13-15)18(20)22-12-10-14(3)5-2/h7-9,13-14H,4-6,10-12H2,1-3H3

InChI Key

QWWWPLWBVBPJPI-UHFFFAOYSA-N

Formula

C18H26O4

SMILES

CCCCOC(=O)c1cccc(C(=O)OCCC(C)CC)c1

Molecular Weight¹

306.40

• 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	[364.98; 843.16]	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			1.60560e+01
Coefficient B			1.47176e+00
Coefficient C			-7.33560e-04
Coefficient D			8.89000e-08
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	364.98	J/mol×K	273.00	Calculated Property
Cp,gas	448.86	J/mol×K	353.78	Calculated Property
Cp,gas	524.39	J/mol×K	434.56	Calculated Property
Cp,gas	591.86	J/mol×K	515.33	Calculated Property
Cp,gas	651.55	J/mol×K	596.11	Calculated Property
Cp,gas	703.74	J/mol×K	676.89	Calculated Property
Cp,gas	748.72	J/mol×K	757.67	Calculated Property
Cp,gas	786.76	J/mol×K	838.44	Calculated Property
Cp,gas	818.14	J/mol×K	919.22	Calculated Property
Cp,gas	843.16	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0014066; 0.0000853]	Pa×s	[401.22; 669.69]	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			-1.35571e+01
Coefficient B			2.80474e+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.			401.22
Temperature range, max.			669.69
η	0.0014066	Pa×s	401.22	Calculated Property
η	0.0008671	Pa×s	431.05	Calculated Property
η	0.0005691	Pa×s	460.88	Calculated Property
η	0.0003931	Pa×s	490.71	Calculated Property
η	0.0002833	Pa×s	520.54	Calculated Property
η	0.0002116	Pa×s	550.37	Calculated Property
η	0.0001628	Pa×s	580.20	Calculated Property
η	0.0001285	Pa×s	610.03	Calculated Property
η	0.0001037	Pa×s	639.86	Calculated Property
η	0.0000853	Pa×s	669.69	Calculated Property

Similar Compounds

Find more compounds similar to Isophthalic acid, butyl 3-methylpentyl ester.

Sources

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

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