Chemical Properties of Fumaric acid, heptyl 4-phenoxybenzyl ester

InChI

InChI=1S/C24H28O5/c1-2-3-4-5-9-18-27-23(25)16-17-24(26)28-19-20-12-14-22(15-13-20)29-21-10-7-6-8-11-21/h6-8,10-17H,2-5,9,18-19H2,1H3/b17-16+

InChI Key

DBHCSXJYMMWFKK-WUKNDPDISA-N

Formula

C24H28O5

SMILES

CCCCCCCOC(=O)/C=C/C(=O)OCc1ccc(Oc2ccccc2)cc1

Molecular Weight¹

396.48

• 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	[436.73; 1021.56]	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			-1.03030e+01
Coefficient B			1.91372e+00
Coefficient C			-1.06076e-03
Coefficient D			1.78900e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	436.73	J/mol×K	273.00	Calculated Property
Cp,gas	541.89	J/mol×K	353.78	Calculated Property
Cp,gas	635.68	J/mol×K	434.56	Calculated Property
Cp,gas	718.68	J/mol×K	515.33	Calculated Property
Cp,gas	791.44	J/mol×K	596.11	Calculated Property
Cp,gas	854.54	J/mol×K	676.89	Calculated Property
Cp,gas	908.53	J/mol×K	757.67	Calculated Property
Cp,gas	953.99	J/mol×K	838.44	Calculated Property
Cp,gas	991.48	J/mol×K	919.22	Calculated Property
Cp,gas	1021.56	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0002893; 0.0000277]	Pa×s	[527.41; 820.74]	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			-1.47154e+01
Coefficient B			3.46363e+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.			527.41
Temperature range, max.			820.74
η	0.0002893	Pa×s	527.41	Calculated Property
η	0.0001974	Pa×s	560.00	Calculated Property
η	0.0001405	Pa×s	592.60	Calculated Property
η	0.0001036	Pa×s	625.19	Calculated Property
η	0.0000787	Pa×s	657.78	Calculated Property
η	0.0000614	Pa×s	690.37	Calculated Property
η	0.0000490	Pa×s	722.97	Calculated Property
η	0.0000398	Pa×s	755.56	Calculated Property
η	0.0000329	Pa×s	788.15	Calculated Property
η	0.0000277	Pa×s	820.74	Calculated Property

Similar Compounds

Find more compounds similar to Fumaric acid, heptyl 4-phenoxybenzyl ester.

Sources

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

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