Chemical Properties of Fumaric acid, ethyl 4-phenylphenyl ester

InChI

InChI=1S/C18H16O4/c1-2-21-17(19)12-13-18(20)22-16-10-8-15(9-11-16)14-6-4-3-5-7-14/h3-13H,2H2,1H3/b13-12+

InChI Key

NQVLMHVHROWIGB-OUKQBFOZSA-N

Formula

C18H16O4

SMILES

CCOC(=O)/C=C/C(=O)Oc1ccc(-c2ccccc2)cc1

Molecular Weight¹

296.32

• 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).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Cheméo can also estimate Critical Volume, Standard Gibbs free energy of formation 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	[294.04; 693.51]	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			-3.03490e+01
Coefficient B			1.40692e+00
Coefficient C			-8.45360e-04
Coefficient D			1.62300e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	294.04	J/mol×K	273.00	Calculated Property
Cp,gas	368.77	J/mol×K	353.78	Calculated Property
Cp,gas	434.72	J/mol×K	434.56	Calculated Property
Cp,gas	492.39	J/mol×K	515.33	Calculated Property
Cp,gas	542.31	J/mol×K	596.11	Calculated Property
Cp,gas	584.99	J/mol×K	676.89	Calculated Property
Cp,gas	620.93	J/mol×K	757.67	Calculated Property
Cp,gas	650.66	J/mol×K	838.44	Calculated Property
Cp,gas	674.68	J/mol×K	919.22	Calculated Property
Cp,gas	693.51	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0008410; 0.0000712]	Pa×s	[437.56; 716.32]	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			-1.34266e+01
Coefficient B			2.77658e+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.			437.56
Temperature range, max.			716.32
η	0.0008410	Pa×s	437.56	Calculated Property
η	0.0005528	Pa×s	468.53	Calculated Property
η	0.0003828	Pa×s	499.51	Calculated Property
η	0.0002767	Pa×s	530.48	Calculated Property
η	0.0002073	Pa×s	561.45	Calculated Property
η	0.0001601	Pa×s	592.43	Calculated Property
η	0.0001268	Pa×s	623.40	Calculated Property
η	0.0001027	Pa×s	654.38	Calculated Property
η	0.0000848	Pa×s	685.35	Calculated Property
η	0.0000712	Pa×s	716.32	Calculated Property

Similar Compounds

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

Sources

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

Note: Cheméo is only indexing the data, follow the source links to retrieve the latest data. The source is also providing more information like the publication year, authors and more. Take the time to validate and double check the source of the data.
These property values are available through the Cheméo API. A free account gives you an access key.