Chemical Properties of Glutaric acid, hept-2-yl 2-methylphenyl ester

InChI

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

InChI Key

DXPIMRKPVNNTDR-UHFFFAOYSA-N

Formula

C19H28O4

SMILES

CCCCCC(C)OC(=O)CCCC(=O)Oc1ccccc1C

Molecular Weight¹

320.43

• 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).
• 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, 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	[386.20; 894.75]	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			1.51470e+01
Coefficient B			1.56676e+00
Coefficient C			-7.87960e-04
Coefficient D			1.00800e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	386.20	J/mol×K	273.00	Calculated Property
Cp,gas	475.28	J/mol×K	353.78	Calculated Property
Cp,gas	555.47	J/mol×K	434.56	Calculated Property
Cp,gas	627.09	J/mol×K	515.33	Calculated Property
Cp,gas	690.46	J/mol×K	596.11	Calculated Property
Cp,gas	745.90	J/mol×K	676.89	Calculated Property
Cp,gas	793.74	J/mol×K	757.67	Calculated Property
Cp,gas	834.27	J/mol×K	838.44	Calculated Property
Cp,gas	867.84	J/mol×K	919.22	Calculated Property
Cp,gas	894.75	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0012513; 0.0000763]	Pa×s	[412.49; 685.19]	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			-1.37113e+01
Coefficient B			2.89890e+03
Coefficient C			0.00000e+00
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Temperature range, min.			412.49
Temperature range, max.			685.19
η	0.0012513	Pa×s	412.49	Calculated Property
η	0.0007736	Pa×s	442.79	Calculated Property
η	0.0005086	Pa×s	473.09	Calculated Property
η	0.0003517	Pa×s	503.39	Calculated Property
η	0.0002537	Pa×s	533.69	Calculated Property
η	0.0001895	Pa×s	563.99	Calculated Property
η	0.0001458	Pa×s	594.29	Calculated Property
η	0.0001151	Pa×s	624.59	Calculated Property
η	0.0000928	Pa×s	654.89	Calculated Property
η	0.0000763	Pa×s	685.19	Calculated Property

Similar Compounds

Find more compounds similar to Glutaric acid, hept-2-yl 2-methylphenyl 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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