Chemical Properties of Glutaric acid, 2-methylpent-3-yl phenethyl ester

InChI

InChI=1S/C19H28O4/c1-4-17(15(2)3)23-19(21)12-8-11-18(20)22-14-13-16-9-6-5-7-10-16/h5-7,9-10,15,17H,4,8,11-14H2,1-3H3

InChI Key

HLJAWZGPMMLVMP-UHFFFAOYSA-N

Formula

C19H28O4

SMILES

CCC(OC(=O)CCCC(=O)OCCc1ccccc1)C(C)C

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).
• 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).
• 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, 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	[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, 2-methylpent-3-yl phenethyl 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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