Chemical Properties of Glutaric acid, di((cyclohex-3-enyl)methyl) ester

InChI

InChI=1S/C19H28O4/c20-18(22-14-16-8-3-1-4-9-16)12-7-13-19(21)23-15-17-10-5-2-6-11-17/h1-3,5,16-17H,4,6-15H2

InChI Key

NQMDXDBHWQEXFC-UHFFFAOYSA-N

Formula

C19H28O4

SMILES

O=C(CCCC(=O)OCC1CC=CCC1)OCC1CC=CCC1

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).
• IE : Ionization energy (eV).
• 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, 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	[352.03; 923.32]	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			-7.92150e+01
Coefficient B			1.83140e+00
Coefficient C			-9.57160e-04
Coefficient D			1.28300e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	352.03	J/mol×K	273.00	Calculated Property
Cp,gas	454.58	J/mol×K	353.78	Calculated Property
Cp,gas	546.41	J/mol×K	434.56	Calculated Property
Cp,gas	627.93	J/mol×K	515.33	Calculated Property
Cp,gas	699.55	J/mol×K	596.11	Calculated Property
Cp,gas	761.68	J/mol×K	676.89	Calculated Property
Cp,gas	814.71	J/mol×K	757.67	Calculated Property
Cp,gas	859.06	J/mol×K	838.44	Calculated Property
Cp,gas	895.13	J/mol×K	919.22	Calculated Property
Cp,gas	923.33	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0020273; 0.0000943]	Pa×s	[404.83; 701.65]	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			-1.34533e+01
Coefficient B			2.93594e+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.			404.83
Temperature range, max.			701.65
η	0.0020273	Pa×s	404.83	Calculated Property
η	0.0011740	Pa×s	437.81	Calculated Property
η	0.0007339	Pa×s	470.79	Calculated Property
η	0.0004879	Pa×s	503.77	Calculated Property
η	0.0003410	Pa×s	536.75	Calculated Property
η	0.0002485	Pa×s	569.73	Calculated Property
η	0.0001874	Pa×s	602.71	Calculated Property
η	0.0001456	Pa×s	635.69	Calculated Property
η	0.0001159	Pa×s	668.67	Calculated Property
η	0.0000943	Pa×s	701.65	Calculated Property

Similar Compounds

Find more compounds similar to Glutaric acid, di((cyclohex-3-enyl)methyl) 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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