Chemical Properties of Glutaric acid, 2-methylpent-3-yl 4-acetylphenyl ester

InChI

InChI=1S/C19H26O5/c1-5-17(13(2)3)24-19(22)8-6-7-18(21)23-16-11-9-15(10-12-16)14(4)20/h9-13,17H,5-8H2,1-4H3

InChI Key

VYYIEDVGVBXKND-UHFFFAOYSA-N

Formula

C19H26O5

SMILES

CCC(OC(=O)CCCC(=O)Oc1ccc(C(C)=O)cc1)C(C)C

Molecular Weight¹

334.41

• 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).
• 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	[386.81; 884.30]	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			2.08240e+01
Coefficient B			1.54468e+00
Coefficient C			-7.72460e-04
Coefficient D			9.12600e-08
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	386.81	J/mol×K	273.00	Calculated Property
Cp,gas	474.66	J/mol×K	353.78	Calculated Property
Cp,gas	553.69	J/mol×K	434.56	Calculated Property
Cp,gas	624.20	J/mol×K	515.33	Calculated Property
Cp,gas	686.46	J/mol×K	596.11	Calculated Property
Cp,gas	740.78	J/mol×K	676.89	Calculated Property
Cp,gas	787.43	J/mol×K	757.67	Calculated Property
Cp,gas	826.71	J/mol×K	838.44	Calculated Property
Cp,gas	858.91	J/mol×K	919.22	Calculated Property
Cp,gas	884.30	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0010704; 0.0000685]	Pa×s	[447.42; 729.25]	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			-1.39536e+01
Coefficient B			3.18291e+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.			447.42
Temperature range, max.			729.25
η	0.0010704	Pa×s	447.42	Calculated Property
η	0.0006721	Pa×s	478.73	Calculated Property
η	0.0004469	Pa×s	510.05	Calculated Property
η	0.0003115	Pa×s	541.36	Calculated Property
η	0.0002258	Pa×s	572.68	Calculated Property
η	0.0001693	Pa×s	603.99	Calculated Property
η	0.0001306	Pa×s	635.31	Calculated Property
η	0.0001032	Pa×s	666.62	Calculated Property
η	0.0000833	Pa×s	697.94	Calculated Property
η	0.0000685	Pa×s	729.25	Calculated Property

Similar Compounds

Find more compounds similar to Glutaric acid, 2-methylpent-3-yl 4-acetylphenyl 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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