Chemical Properties of Fumaric acid, 4-phenylphenyl undecyl ester

InChI

InChI=1S/C27H34O4/c1-2-3-4-5-6-7-8-9-13-22-30-26(28)20-21-27(29)31-25-18-16-24(17-19-25)23-14-11-10-12-15-23/h10-12,14-21H,2-9,13,22H2,1H3/b21-20+

InChI Key

PCXNPXFWWRYYTR-QZQOTICOSA-N

Formula

C27H34O4

SMILES

CCCCCCCCCCCOC(=O)C=CC(=O)Oc1ccc(-c2ccccc2)cc1

Molecular Weight¹

422.56

• 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).
• 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	[484.96; 1157.83]	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			-3.85300e+01
Coefficient B			2.26192e+00
Coefficient C			-1.33496e-03
Coefficient D			2.69400e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	484.96	J/mol×K	273.00	Calculated Property
Cp,gas	606.53	J/mol×K	353.78	Calculated Property
Cp,gas	714.42	J/mol×K	434.56	Calculated Property
Cp,gas	809.46	J/mol×K	515.33	Calculated Property
Cp,gas	892.52	J/mol×K	596.11	Calculated Property
Cp,gas	964.44	J/mol×K	676.89	Calculated Property
Cp,gas	1026.08	J/mol×K	757.67	Calculated Property
Cp,gas	1078.29	J/mol×K	838.44	Calculated Property
Cp,gas	1121.92	J/mol×K	919.22	Calculated Property
Cp,gas	1157.83	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0002919; 0.0000243]	Pa×s	[538.99; 855.56]	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			-1.48627e+01
Coefficient B			3.62402e+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.			538.99
Temperature range, max.			855.56
η	0.0002919	Pa×s	538.99	Calculated Property
η	0.0001934	Pa×s	574.16	Calculated Property
η	0.0001343	Pa×s	609.34	Calculated Property
η	0.0000971	Pa×s	644.51	Calculated Property
η	0.0000726	Pa×s	679.69	Calculated Property
η	0.0000558	Pa×s	714.86	Calculated Property
η	0.0000440	Pa×s	750.04	Calculated Property
η	0.0000355	Pa×s	785.21	Calculated Property
η	0.0000291	Pa×s	820.39	Calculated Property
η	0.0000243	Pa×s	855.56	Calculated Property

Similar Compounds

Find more compounds similar to Fumaric acid, 4-phenylphenyl undecyl ester.

Sources

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

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