Chemical Properties of Fumaric acid, isobutyl 2-propylphenyl ester

InChI

InChI=1S/C17H22O4/c1-4-7-14-8-5-6-9-15(14)21-17(19)11-10-16(18)20-12-13(2)3/h5-6,8-11,13H,4,7,12H2,1-3H3/b11-10+

InChI Key

DEKPJOQHODOEHC-ZHACJKMWSA-N

Formula

C17H22O4

SMILES

CCCc1ccccc1OC(=O)C=CC(=O)OCC(C)C

Molecular Weight¹

290.35

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• η : Dynamic viscosity (Pa×s).
• Δ_fusH° : Enthalpy of fusion 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).
• I_np : Non-polar retention indices.
• T_boil : Normal Boiling Point Temperature (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Cheméo can also estimate Normal melting (fusion) point, Critical Temperature, Critical Pressure, Critical Volume, Enthalpy of formation at standard conditions, Enthalpy of vaporization at standard conditions, Standard Gibbs free energy of formation, Acentric Factor, 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	[329.77; 760.98]	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			2.78300e+00
Coefficient B			1.39676e+00
Coefficient C			-7.62960e-04
Coefficient D			1.24400e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	329.77	J/mol×K	273.00	Calculated Property
Cp,gas	406.94	J/mol×K	353.78	Calculated Property
Cp,gas	475.88	J/mol×K	434.56	Calculated Property
Cp,gas	536.99	J/mol×K	515.33	Calculated Property
Cp,gas	590.64	J/mol×K	596.11	Calculated Property
Cp,gas	637.24	J/mol×K	676.89	Calculated Property
Cp,gas	677.18	J/mol×K	757.67	Calculated Property
Cp,gas	710.86	J/mol×K	838.44	Calculated Property
Cp,gas	738.66	J/mol×K	919.22	Calculated Property
Cp,gas	760.98	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0014784; 0.0000796]	Pa×s	[384.87; 661.85]	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			-1.34979e+01
Coefficient B			2.68682e+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.			384.87
Temperature range, max.			661.85
η	0.0014784	Pa×s	384.87	Calculated Property
η	0.0008817	Pa×s	415.65	Calculated Property
η	0.0005647	Pa×s	446.42	Calculated Property
η	0.0003830	Pa×s	477.20	Calculated Property
η	0.0002723	Pa×s	507.97	Calculated Property
η	0.0002013	Pa×s	538.75	Calculated Property
η	0.0001537	Pa×s	569.52	Calculated Property
η	0.0001207	Pa×s	600.30	Calculated Property
η	0.0000970	Pa×s	631.07	Calculated Property
η	0.0000796	Pa×s	661.85	Calculated Property

Similar Compounds

Find more compounds similar to Fumaric acid, isobutyl 2-propylphenyl ester.

Sources

• Cheméo Relay (1.0)
• Cheméo Relay (1.0, beta) Beta: served but experimental, data-limited and below our cross-validation release bar; the Joback value is recommended where available.
• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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