Chemical Properties of Glutaric acid, cyclohexylmethyl 2-isopropoxyphenyl ester

InChI

InChI=1S/C21H30O5/c1-16(2)25-18-11-6-7-12-19(18)26-21(23)14-8-13-20(22)24-15-17-9-4-3-5-10-17/h6-7,11-12,16-17H,3-5,8-10,13-15H2,1-2H3

InChI Key

UZFIAJJCXGZJBK-UHFFFAOYSA-N

Formula

C21H30O5

SMILES

CC(C)Oc1ccccc1OC(=O)CCCC(=O)OCC1CCCCC1

Molecular Weight¹

362.46

• 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).
• log₁₀WS : Log10 of Water solubility in mol/l.
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• I_np : Non-polar retention indices.
• T_fus : Normal melting (fusion) point (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Cheméo can also estimate Normal Boiling Point Temperature, 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 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	[405.91; 1001.50]	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			-2.67760e+01
Coefficient B			1.81564e+00
Coefficient C			-8.66760e-04
Coefficient D			7.94000e-08
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	405.91	J/mol×K	273.00	Calculated Property
Cp,gas	510.59	J/mol×K	353.78	Calculated Property
Cp,gas	605.06	J/mol×K	434.56	Calculated Property
Cp,gas	689.57	J/mol×K	515.33	Calculated Property
Cp,gas	764.36	J/mol×K	596.11	Calculated Property
Cp,gas	829.70	J/mol×K	676.89	Calculated Property
Cp,gas	885.84	J/mol×K	757.67	Calculated Property
Cp,gas	933.01	J/mol×K	838.44	Calculated Property
Cp,gas	971.49	J/mol×K	919.22	Calculated Property
Cp,gas	1001.50	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0007300; 0.0000449]	Pa×s	[464.64; 760.04]	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			-1.43971e+01
Coefficient B			3.33358e+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.			464.64
Temperature range, max.			760.04
η	0.0007300	Pa×s	464.64	Calculated Property
η	0.0004547	Pa×s	497.46	Calculated Property
η	0.0003003	Pa×s	530.28	Calculated Property
η	0.0002082	Pa×s	563.11	Calculated Property
η	0.0001503	Pa×s	595.93	Calculated Property
η	0.0001122	Pa×s	628.75	Calculated Property
η	0.0000863	Pa×s	661.57	Calculated Property
η	0.0000680	Pa×s	694.40	Calculated Property
η	0.0000547	Pa×s	727.22	Calculated Property
η	0.0000449	Pa×s	760.04	Calculated Property

Similar Compounds

Find more compounds similar to Glutaric acid, cyclohexylmethyl 2-isopropoxyphenyl 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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