Chemical Properties of Fumaric acid, decyl 4-phenoxybenzyl ester

InChI

InChI=1S/C27H34O5/c1-2-3-4-5-6-7-8-12-21-30-26(28)19-20-27(29)31-22-23-15-17-25(18-16-23)32-24-13-10-9-11-14-24/h9-11,13-20H,2-8,12,21-22H2,1H3/b20-19+

InChI Key

GDZPDSXGXXNUKJ-FMQUCBEESA-N

Formula

C27H34O5

SMILES

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

Molecular Weight¹

438.56

• 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	[500.37; 1176.33]	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			-1.30300e+01
Coefficient B			2.19872e+00
Coefficient C			-1.22396e-03
Coefficient D			2.14600e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	500.37	J/mol×K	273.00	Calculated Property
Cp,gas	621.14	J/mol×K	353.78	Calculated Property
Cp,gas	728.92	J/mol×K	434.56	Calculated Property
Cp,gas	824.37	J/mol×K	515.33	Calculated Property
Cp,gas	908.18	J/mol×K	596.11	Calculated Property
Cp,gas	981.02	J/mol×K	676.89	Calculated Property
Cp,gas	1043.58	J/mol×K	757.67	Calculated Property
Cp,gas	1096.53	J/mol×K	838.44	Calculated Property
Cp,gas	1140.56	J/mol×K	919.22	Calculated Property
Cp,gas	1176.33	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0001962; 0.0000180]	Pa×s	[561.22; 873.65]	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			-1.52115e+01
Coefficient B			3.74611e+03
Coefficient C			0.00000e+00
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Temperature range, min.			561.22
Temperature range, max.			873.65
η	0.0001962	Pa×s	561.22	Calculated Property
η	0.0001330	Pa×s	595.93	Calculated Property
η	0.0000941	Pa×s	630.65	Calculated Property
η	0.0000690	Pa×s	665.36	Calculated Property
η	0.0000522	Pa×s	700.08	Calculated Property
η	0.0000405	Pa×s	734.79	Calculated Property
η	0.0000322	Pa×s	769.51	Calculated Property
η	0.0000261	Pa×s	804.22	Calculated Property
η	0.0000215	Pa×s	838.94	Calculated Property
η	0.0000180	Pa×s	873.65	Calculated Property

Similar Compounds

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

Sources

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

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