Chemical Properties of Succinic acid, phenyl 2-methylbutyl ester

InChI

InChI=1S/C15H20O4/c1-3-12(2)11-18-14(16)9-10-15(17)19-13-7-5-4-6-8-13/h4-8,12H,3,9-11H2,1-2H3

InChI Key

SRADRAUVJACILN-UHFFFAOYSA-N

Formula

C15H20O4

SMILES

CCC(C)COC(=O)CCC(=O)Oc1ccccc1

Molecular Weight¹

264.32

• 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).
• 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, Standard Gibbs free energy of formation, Acentric Factor, 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	[298.79; 691.42]	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			4.48400e+00
Coefficient B			1.24624e+00
Coefficient C			-6.37400e-04
Coefficient D			7.81000e-08
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	298.79	J/mol×K	273.00	Calculated Property
Cp,gas	369.06	J/mol×K	353.78	Calculated Property
Cp,gas	432.09	J/mol×K	434.56	Calculated Property
Cp,gas	488.13	J/mol×K	515.33	Calculated Property
Cp,gas	537.43	J/mol×K	596.11	Calculated Property
Cp,gas	580.23	J/mol×K	676.89	Calculated Property
Cp,gas	616.78	J/mol×K	757.67	Calculated Property
Cp,gas	647.34	J/mol×K	838.44	Calculated Property
Cp,gas	672.13	J/mol×K	919.22	Calculated Property
Cp,gas	691.42	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0026052; 0.0001163]	Pa×s	[354.89; 621.25]	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			-1.32018e+01
Coefficient B			2.57352e+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.			354.89
Temperature range, max.			621.25
η	0.0026052	Pa×s	354.89	Calculated Property
η	0.0014908	Pa×s	384.49	Calculated Property
η	0.0009240	Pa×s	414.08	Calculated Property
η	0.0006104	Pa×s	443.68	Calculated Property
η	0.0004247	Pa×s	473.27	Calculated Property
η	0.0003084	Pa×s	502.87	Calculated Property
η	0.0002320	Pa×s	532.46	Calculated Property
η	0.0001799	Pa×s	562.06	Calculated Property
η	0.0001431	Pa×s	591.66	Calculated Property
η	0.0001163	Pa×s	621.25	Calculated Property

Similar Compounds

Find more compounds similar to Succinic acid, phenyl 2-methylbutyl 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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