Chemical Properties of 1,2-Cyclohexanedicarboxylic acid, di(cyclohex-3-enylmethyl) ester

InChI

InChI=1S/C22H32O4/c23-21(25-15-17-9-3-1-4-10-17)19-13-7-8-14-20(19)22(24)26-16-18-11-5-2-6-12-18/h1-3,5,17-20H,4,6-16H2

InChI Key

GNXFGKUPZDWEOT-UHFFFAOYSA-N

Formula

C22H32O4

SMILES

O=C(OCC1CC=CCC1)C1CCCCC1C(=O)OCC1CC=CCC1

Molecular Weight¹

360.49

• 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

Property	Value	Unit	Source
ΔfusH°	40.49	kJ/mol	Joback Calculated Property
IE	8.68	eV	Relay (1.0) Calculated Property
logPoct/wat	4.592		Crippen Calculated Property
McVol	294.540	ml/mol	McGowan Calculated Property
Inp	[2753.00; 2753.00]
Inp	2753.00		NIST
Inp	2753.00		NIST

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	[379.82; 1069.83]	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			-1.41608e+02
Coefficient B			2.21200e+00
Coefficient C			-1.14596e-03
Coefficient D			1.45400e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	379.82	J/mol×K	273.00	Calculated Property
Cp,gas	503.96	J/mol×K	353.78	Calculated Property
Cp,gas	615.16	J/mol×K	434.56	Calculated Property
Cp,gas	713.88	J/mol×K	515.33	Calculated Property
Cp,gas	800.57	J/mol×K	596.11	Calculated Property
Cp,gas	875.71	J/mol×K	676.89	Calculated Property
Cp,gas	939.74	J/mol×K	757.67	Calculated Property
Cp,gas	993.14	J/mol×K	838.44	Calculated Property
Cp,gas	1036.34	J/mol×K	919.22	Calculated Property
Cp,gas	1069.83	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0016241; 0.0000805]	Pa×s	[441.78; 773.42]	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			-1.34285e+01
Coefficient B			3.09500e+03
Coefficient C			0.00000e+00
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Temperature range, min.			441.78
Temperature range, max.			773.42
η	0.0016241	Pa×s	441.78	Calculated Property
η	0.0009471	Pa×s	478.63	Calculated Property
η	0.0005965	Pa×s	515.48	Calculated Property
η	0.0003996	Pa×s	552.33	Calculated Property
η	0.0002815	Pa×s	589.18	Calculated Property
η	0.0002066	Pa×s	626.02	Calculated Property
η	0.0001570	Pa×s	662.87	Calculated Property
η	0.0001228	Pa×s	699.72	Calculated Property
η	0.0000984	Pa×s	736.57	Calculated Property
η	0.0000805	Pa×s	773.42	Calculated Property

Similar Compounds

Find more compounds similar to 1,2-Cyclohexanedicarboxylic acid, di(cyclohex-3-enylmethyl) 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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