Chemical Properties of Fumaric acid, 3-phenylpropyl 2-methylpent-3-yl ester

InChI

InChI=1S/C19H26O4/c1-4-17(15(2)3)23-19(21)13-12-18(20)22-14-8-11-16-9-6-5-7-10-16/h5-7,9-10,12-13,15,17H,4,8,11,14H2,1-3H3/b13-12+

InChI Key

DSJOBIJGUVGHFM-OUKQBFOZSA-N

Formula

C19H26O4

SMILES

CCC(OC(=O)C=CC(=O)OCCCc1ccccc1)C(C)C

Molecular Weight¹

318.41

• 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).
• 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).
• T_fus : Normal melting (fusion) point (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Cheméo can also estimate 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, Log10 of Water solubility in mol/l 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	[369.33; 867.74]	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			-1.50160e+01
Coefficient B			1.65216e+00
Coefficient C			-9.42000e-04
Coefficient D			1.72600e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	369.33	J/mol×K	273.00	Calculated Property
Cp,gas	459.22	J/mol×K	353.78	Calculated Property
Cp,gas	539.22	J/mol×K	434.56	Calculated Property
Cp,gas	609.85	J/mol×K	515.33	Calculated Property
Cp,gas	671.68	J/mol×K	596.11	Calculated Property
Cp,gas	725.24	J/mol×K	676.89	Calculated Property
Cp,gas	771.08	J/mol×K	757.67	Calculated Property
Cp,gas	809.75	J/mol×K	838.44	Calculated Property
Cp,gas	841.79	J/mol×K	919.22	Calculated Property
Cp,gas	867.74	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0019718; 0.0000594]	Pa×s	[379.89; 689.22]	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			-1.40317e+01
Coefficient B			2.96422e+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.			379.89
Temperature range, max.			689.22
η	0.0019718	Pa×s	379.89	Calculated Property
η	0.0010321	Pa×s	414.26	Calculated Property
η	0.0005965	Pa×s	448.63	Calculated Property
η	0.0003728	Pa×s	483.00	Calculated Property
η	0.0002480	Pa×s	517.37	Calculated Property
η	0.0001735	Pa×s	551.74	Calculated Property
η	0.0001266	Pa×s	586.11	Calculated Property
η	0.0000957	Pa×s	620.48	Calculated Property
η	0.0000745	Pa×s	654.85	Calculated Property
η	0.0000594	Pa×s	689.22	Calculated Property

Similar Compounds

Find more compounds similar to Fumaric acid, 3-phenylpropyl 2-methylpent-3-yl 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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