Chemical Properties of Isophthalic acid, butyl 2-heptyl ester

InChI

InChI=1S/C19H28O4/c1-4-6-8-10-15(3)23-19(21)17-12-9-11-16(14-17)18(20)22-13-7-5-2/h9,11-12,14-15H,4-8,10,13H2,1-3H3

InChI Key

ILRGMDONVIOSJD-UHFFFAOYSA-N

Formula

C19H28O4

SMILES

CCCCCC(C)OC(=O)c1cccc(C(=O)OCCCC)c1

Molecular Weight¹

320.42

Other Names

• Isophthalic acid, butyl hex-3-yl ester

• 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	[386.20; 894.75]	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			1.51470e+01
Coefficient B			1.56676e+00
Coefficient C			-7.87960e-04
Coefficient D			1.00800e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	386.20	J/mol×K	273.00	Calculated Property
Cp,gas	475.28	J/mol×K	353.78	Calculated Property
Cp,gas	555.47	J/mol×K	434.56	Calculated Property
Cp,gas	627.09	J/mol×K	515.33	Calculated Property
Cp,gas	690.46	J/mol×K	596.11	Calculated Property
Cp,gas	745.90	J/mol×K	676.89	Calculated Property
Cp,gas	793.74	J/mol×K	757.67	Calculated Property
Cp,gas	834.27	J/mol×K	838.44	Calculated Property
Cp,gas	867.84	J/mol×K	919.22	Calculated Property
Cp,gas	894.75	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0012513; 0.0000763]	Pa×s	[412.49; 685.19]	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			-1.37113e+01
Coefficient B			2.89890e+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.			412.49
Temperature range, max.			685.19
η	0.0012513	Pa×s	412.49	Calculated Property
η	0.0007736	Pa×s	442.79	Calculated Property
η	0.0005086	Pa×s	473.09	Calculated Property
η	0.0003517	Pa×s	503.39	Calculated Property
η	0.0002537	Pa×s	533.69	Calculated Property
η	0.0001895	Pa×s	563.99	Calculated Property
η	0.0001458	Pa×s	594.29	Calculated Property
η	0.0001151	Pa×s	624.59	Calculated Property
η	0.0000928	Pa×s	654.89	Calculated Property
η	0.0000763	Pa×s	685.19	Calculated Property

Similar Compounds

Find more compounds similar to Isophthalic acid, butyl 2-heptyl ester.

Sources

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

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