Chemical Properties of Isophthalic acid, 2-biphenyl heptyl ester

InChI

InChI=1S/C27H28O4/c1-2-3-4-5-11-19-30-26(28)22-15-12-16-23(20-22)27(29)31-25-18-10-9-17-24(25)21-13-7-6-8-14-21/h6-10,12-18,20H,2-5,11,19H2,1H3

InChI Key

LLCQZYUIVMHZKE-UHFFFAOYSA-N

Formula

C27H28O4

SMILES

CCCCCCCOC(=O)c1cccc(C(=O)Oc2ccccc2-c2ccccc2)c1

Molecular Weight¹

416.51

• 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	[444.26; 1066.85]	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			-4.39540e+01
Coefficient B			2.10352e+00
Coefficient C			-1.21532e-03
Coefficient D			2.22600e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	444.26	J/mol×K	273.00	Calculated Property
Cp,gas	557.97	J/mol×K	353.78	Calculated Property
Cp,gas	658.91	J/mol×K	434.56	Calculated Property
Cp,gas	747.77	J/mol×K	515.33	Calculated Property
Cp,gas	825.27	J/mol×K	596.11	Calculated Property
Cp,gas	892.10	J/mol×K	676.89	Calculated Property
Cp,gas	948.97	J/mol×K	757.67	Calculated Property
Cp,gas	996.58	J/mol×K	838.44	Calculated Property
Cp,gas	1035.64	J/mol×K	919.22	Calculated Property
Cp,gas	1066.85	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0002352; 0.0000282]	Pa×s	[583.01; 884.44]	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			-1.45811e+01
Coefficient B			3.62994e+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.			583.01
Temperature range, max.			884.44
η	0.0002352	Pa×s	583.01	Calculated Property
η	0.0001677	Pa×s	616.50	Calculated Property
η	0.0001238	Pa×s	650.00	Calculated Property
η	0.0000942	Pa×s	683.49	Calculated Property
η	0.0000735	Pa×s	716.98	Calculated Property
η	0.0000586	Pa×s	750.47	Calculated Property
η	0.0000477	Pa×s	783.97	Calculated Property
η	0.0000394	Pa×s	817.46	Calculated Property
η	0.0000331	Pa×s	850.95	Calculated Property
η	0.0000282	Pa×s	884.44	Calculated Property

Similar Compounds

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

Sources

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

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