Chemical Properties of Glutaric acid, cyclohexylmethyl 2-methylphenyl ester

InChI

InChI=1S/C19H26O4/c1-15-8-5-6-11-17(15)23-19(21)13-7-12-18(20)22-14-16-9-3-2-4-10-16/h5-6,8,11,16H,2-4,7,9-10,12-14H2,1H3

InChI Key

REEISHBVNJEISC-UHFFFAOYSA-N

Formula

C19H26O4

SMILES

Cc1ccccc1OC(=O)CCCC(=O)OCC1CCCCC1

Molecular Weight¹

318.41

• 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).
• 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, Enthalpy of vaporization 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	[348.39; 879.28]	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			-4.87760e+01
Coefficient B			1.68292e+00
Coefficient C			-8.65760e-04
Coefficient D			1.10900e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	348.39	J/mol×K	273.00	Calculated Property
Cp,gas	443.16	J/mol×K	353.78	Calculated Property
Cp,gas	528.16	J/mol×K	434.56	Calculated Property
Cp,gas	603.75	J/mol×K	515.33	Calculated Property
Cp,gas	670.28	J/mol×K	596.11	Calculated Property
Cp,gas	728.10	J/mol×K	676.89	Calculated Property
Cp,gas	777.55	J/mol×K	757.67	Calculated Property
Cp,gas	819.01	J/mol×K	838.44	Calculated Property
Cp,gas	852.80	J/mol×K	919.22	Calculated Property
Cp,gas	879.28	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0011782; 0.0000808]	Pa×s	[434.87; 713.43]	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			-1.36087e+01
Coefficient B			2.98535e+03
Coefficient C			0.00000e+00
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Temperature range, min.			434.87
Temperature range, max.			713.43
η	0.0011782	Pa×s	434.87	Calculated Property
η	0.0007467	Pa×s	465.82	Calculated Property
η	0.0005009	Pa×s	496.77	Calculated Property
η	0.0003521	Pa×s	527.72	Calculated Property
η	0.0002574	Pa×s	558.67	Calculated Property
η	0.0001944	Pa×s	589.62	Calculated Property
η	0.0001510	Pa×s	620.57	Calculated Property
η	0.0001202	Pa×s	651.52	Calculated Property
η	0.0000976	Pa×s	682.48	Calculated Property
η	0.0000808	Pa×s	713.43	Calculated Property

Similar Compounds

Find more compounds similar to Glutaric acid, cyclohexylmethyl 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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