Chemical Properties of Succinic acid, 2-methylpent-3-yl 1-phenylpropyl ester

InChI

InChI=1S/C19H28O4/c1-5-16(14(3)4)22-18(20)12-13-19(21)23-17(6-2)15-10-8-7-9-11-15/h7-11,14,16-17H,5-6,12-13H2,1-4H3

InChI Key

RMJVNRLHXFKBEC-UHFFFAOYSA-N

Formula

C19H28O4

SMILES

CCC(OC(=O)CCC(=O)OC(CC)C(C)C)c1ccccc1

Molecular Weight¹

320.43

• 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).
• 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, 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	[383.02; 898.86]	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			-2.51600e+00
Coefficient B			1.63808e+00
Coefficient C			-8.61400e-04
Coefficient D			1.24700e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	383.02	J/mol×K	273.00	Calculated Property
Cp,gas	474.71	J/mol×K	353.78	Calculated Property
Cp,gas	556.89	J/mol×K	434.56	Calculated Property
Cp,gas	629.95	J/mol×K	515.33	Calculated Property
Cp,gas	694.28	J/mol×K	596.11	Calculated Property
Cp,gas	750.28	J/mol×K	676.89	Calculated Property
Cp,gas	798.35	J/mol×K	757.67	Calculated Property
Cp,gas	838.87	J/mol×K	838.44	Calculated Property
Cp,gas	872.24	J/mol×K	919.22	Calculated Property
Cp,gas	898.86	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0027536; 0.0000645]	Pa×s	[369.97; 683.92]	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			-1.40733e+01
Coefficient B			3.02580e+03
Coefficient C			0.00000e+00
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Temperature range, min.			369.97
Temperature range, max.			683.92
η	0.0027536	Pa×s	369.97	Calculated Property
η	0.0013610	Pa×s	404.85	Calculated Property
η	0.0007523	Pa×s	439.74	Calculated Property
η	0.0004537	Pa×s	474.62	Calculated Property
η	0.0002932	Pa×s	509.50	Calculated Property
η	0.0002004	Pa×s	544.39	Calculated Property
η	0.0001434	Pa×s	579.27	Calculated Property
η	0.0001066	Pa×s	614.15	Calculated Property
η	0.0000818	Pa×s	649.04	Calculated Property
η	0.0000645	Pa×s	683.92	Calculated Property

Similar Compounds

Find more compounds similar to Succinic acid, 2-methylpent-3-yl 1-phenylpropyl 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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