Chemical Properties of Dicyclohexyl glutarate (CAS 3220-58-4)

InChI

InChI=1S/C17H28O4/c18-16(20-14-8-3-1-4-9-14)12-7-13-17(19)21-15-10-5-2-6-11-15/h14-15H,1-13H2

InChI Key

QMHOJBZGLTYRED-UHFFFAOYSA-N

Formula

C17H28O4

SMILES

O=C(CCCC(=O)OC1CCCCC1)OC1CCCCC1

Molecular Weight¹

296.40

CAS

3220-58-4

Other Names

• Dicyclohexyl pentanedioate

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

Physical Properties

Cheméo can also estimate Critical Temperature, Critical Pressure, Critical Volume, 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	[322.55; 882.74]	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			-9.29570e+01
Coefficient B			1.75340e+00
Coefficient C			-8.73800e-04
Coefficient D			9.61000e-08
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	322.55	J/mol×K	273.00	Calculated Property
Cp,gas	422.25	J/mol×K	353.78	Calculated Property
Cp,gas	511.87	J/mol×K	434.56	Calculated Property
Cp,gas	591.73	J/mol×K	515.33	Calculated Property
Cp,gas	662.12	J/mol×K	596.11	Calculated Property
Cp,gas	723.35	J/mol×K	676.89	Calculated Property
Cp,gas	775.72	J/mol×K	757.67	Calculated Property
Cp,gas	819.54	J/mol×K	838.44	Calculated Property
Cp,gas	855.12	J/mol×K	919.22	Calculated Property
Cp,gas	882.74	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0030326; 0.0001067]	Pa×s	[380.77; 672.35]	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			-1.35173e+01
Coefficient B			2.93914e+03
Coefficient C			0.00000e+00
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Temperature range, min.			380.77
Temperature range, max.			672.35
η	0.0030326	Pa×s	380.77	Calculated Property
η	0.0016556	Pa×s	413.17	Calculated Property
η	0.0009870	Pa×s	445.57	Calculated Property
η	0.0006311	Pa×s	477.96	Calculated Property
η	0.0004272	Pa×s	510.36	Calculated Property
η	0.0003029	Pa×s	542.76	Calculated Property
η	0.0002233	Pa×s	575.16	Calculated Property
η	0.0001700	Pa×s	607.56	Calculated Property
η	0.0001331	Pa×s	639.95	Calculated Property
η	0.0001067	Pa×s	672.35	Calculated Property

Similar Compounds

Find more compounds similar to Dicyclohexyl glutarate.

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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