Chemical Properties of Glutaric acid, cyclohexylmethyl isopropyl ester

InChI

InChI=1S/C15H26O4/c1-12(2)19-15(17)10-6-9-14(16)18-11-13-7-4-3-5-8-13/h12-13H,3-11H2,1-2H3

InChI Key

BQWPRBKKEWRGHD-UHFFFAOYSA-N

Formula

C15H26O4

SMILES

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

Molecular Weight¹

270.37

• 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).
• 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, 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	[317.93; 795.02]	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			-2.72160e+01
Coefficient B			1.44724e+00
Coefficient C			-6.87200e-04
Coefficient D			6.22000e-08
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	317.93	J/mol×K	273.00	Calculated Property
Cp,gas	401.53	J/mol×K	353.78	Calculated Property
Cp,gas	477.02	J/mol×K	434.56	Calculated Property
Cp,gas	544.61	J/mol×K	515.33	Calculated Property
Cp,gas	604.48	J/mol×K	596.11	Calculated Property
Cp,gas	656.83	J/mol×K	676.89	Calculated Property
Cp,gas	701.87	J/mol×K	757.67	Calculated Property
Cp,gas	739.78	J/mol×K	838.44	Calculated Property
Cp,gas	770.77	J/mol×K	919.22	Calculated Property
Cp,gas	795.02	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0045757; 0.0001271]	Pa×s	[335.85; 612.52]	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			-1.33202e+01
Coefficient B			2.66437e+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.			335.85
Temperature range, max.			612.52
η	0.0045757	Pa×s	335.85	Calculated Property
η	0.0023526	Pa×s	366.59	Calculated Property
η	0.0013407	Pa×s	397.33	Calculated Property
η	0.0008283	Pa×s	428.07	Calculated Property
η	0.0005459	Pa×s	458.81	Calculated Property
η	0.0003791	Pa×s	489.56	Calculated Property
η	0.0002748	Pa×s	520.30	Calculated Property
η	0.0002065	Pa×s	551.04	Calculated Property
η	0.0001600	Pa×s	581.78	Calculated Property
η	0.0001271	Pa×s	612.52	Calculated Property

Similar Compounds

Find more compounds similar to Glutaric acid, cyclohexylmethyl isopropyl 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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