Chemical Properties of Glutaric acid, 3-methylbut-2-yl 3-phenylpropyl ester

InChI

InChI=1S/C19H28O4/c1-15(2)16(3)23-19(21)13-7-12-18(20)22-14-8-11-17-9-5-4-6-10-17/h4-6,9-10,15-16H,7-8,11-14H2,1-3H3

InChI Key

TZQJVFSJPXVQFH-UHFFFAOYSA-N

Formula

C19H28O4

SMILES

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

Molecular Weight¹

320.42

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

Physical Properties

Cheméo can also estimate Critical Temperature, Critical Volume, Enthalpy of formation at standard conditions, Standard Gibbs free energy of formation, Acentric Factor 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	[383.33; 898.33]	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			-8.34000e-01
Coefficient B			1.63216e+00
Coefficient C			-8.58200e-04
Coefficient D			1.25200e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	383.33	J/mol×K	273.00	Calculated Property
Cp,gas	474.72	J/mol×K	353.78	Calculated Property
Cp,gas	556.64	J/mol×K	434.56	Calculated Property
Cp,gas	629.50	J/mol×K	515.33	Calculated Property
Cp,gas	693.68	J/mol×K	596.11	Calculated Property
Cp,gas	749.58	J/mol×K	676.89	Calculated Property
Cp,gas	797.60	J/mol×K	757.67	Calculated Property
Cp,gas	838.13	J/mol×K	838.44	Calculated Property
Cp,gas	871.58	J/mol×K	919.22	Calculated Property
Cp,gas	898.33	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0020751; 0.0000704]	Pa×s	[384.97; 682.48]	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			-1.39393e+01
Coefficient B			2.98798e+03
Coefficient C			0.00000e+00
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Temperature range, min.			384.97
Temperature range, max.			682.48
η	0.0020751	Pa×s	384.97	Calculated Property
η	0.0011233	Pa×s	418.03	Calculated Property
η	0.0006653	Pa×s	451.08	Calculated Property
η	0.0004232	Pa×s	484.14	Calculated Property
η	0.0002853	Pa×s	517.19	Calculated Property
η	0.0002016	Pa×s	550.25	Calculated Property
η	0.0001482	Pa×s	583.31	Calculated Property
η	0.0001126	Pa×s	616.36	Calculated Property
η	0.0000880	Pa×s	649.42	Calculated Property
η	0.0000704	Pa×s	682.48	Calculated Property

Similar Compounds

Find more compounds similar to Glutaric acid, 3-methylbut-2-yl 3-phenylpropyl ester.

Sources

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

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