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

InChI

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

InChI Key

SUHVIPYBYRKAHP-UHFFFAOYSA-N

Formula

C19H28O4

SMILES

CCc1ccccc1OC(=O)CCCC(=O)OC(CC)C(C)C

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).
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• I_np : Non-polar retention indices.
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Cheméo can also estimate Normal Boiling Point Temperature, 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	[385.88; 895.29]	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			1.34650e+01
Coefficient B			1.57268e+00
Coefficient C			-7.91160e-04
Coefficient D			1.00300e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	385.88	J/mol×K	273.00	Calculated Property
Cp,gas	475.26	J/mol×K	353.78	Calculated Property
Cp,gas	555.71	J/mol×K	434.56	Calculated Property
Cp,gas	627.54	J/mol×K	515.33	Calculated Property
Cp,gas	691.07	J/mol×K	596.11	Calculated Property
Cp,gas	746.61	J/mol×K	676.89	Calculated Property
Cp,gas	794.48	J/mol×K	757.67	Calculated Property
Cp,gas	835.01	J/mol×K	838.44	Calculated Property
Cp,gas	868.51	J/mol×K	919.22	Calculated Property
Cp,gas	895.29	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0015692; 0.0000699]	Pa×s	[397.49; 686.53]	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			-1.38453e+01
Coefficient B			2.93672e+03
Coefficient C			0.00000e+00
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Temperature range, min.			397.49
Temperature range, max.			686.53
η	0.0015692	Pa×s	397.49	Calculated Property
η	0.0009033	Pa×s	429.61	Calculated Property
η	0.0005615	Pa×s	461.72	Calculated Property
η	0.0003713	Pa×s	493.84	Calculated Property
η	0.0002582	Pa×s	525.95	Calculated Property
η	0.0001873	Pa×s	558.07	Calculated Property
η	0.0001406	Pa×s	590.19	Calculated Property
η	0.0001088	Pa×s	622.30	Calculated Property
η	0.0000863	Pa×s	654.42	Calculated Property
η	0.0000699	Pa×s	686.53	Calculated Property

Similar Compounds

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