Chemical Properties of Glutaric acid, di(2-(cyclohexyl)ethyl) ester

InChI

InChI=1S/C21H36O4/c22-20(24-16-14-18-8-3-1-4-9-18)12-7-13-21(23)25-17-15-19-10-5-2-6-11-19/h18-19H,1-17H2

InChI Key

HRIWWELDHYHGDO-UHFFFAOYSA-N

Formula

C21H36O4

SMILES

O=C(CCCC(=O)OCCC1CCCCC1)OCCC1CCCCC1

Molecular Weight¹

352.51

• 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).
• 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).
• T_fus : Normal melting (fusion) point (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ΔfusH°	42.55	kJ/mol	Joback Calculated Property
ΔvapH°	104.33	kJ/mol	Relay (1.0) Calculated Property
logPoct/wat	5.184		Crippen Calculated Property
McVol	299.910	ml/mol	McGowan Calculated Property
Inp	[2617.00; 2617.00]
Inp	2617.00		NIST
Inp	2617.00		NIST
Tboil	682.79	K	Relay (1.0) Calculated Property
Tfus	313.48	K	Relay (1.0) Calculated Property

Cheméo can also estimate Critical Temperature, Critical Pressure, Critical Volume, Enthalpy of formation at standard conditions, 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	[407.41; 1089.11]	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			-9.65930e+01
Coefficient B			2.13340e+00
Coefficient C			-1.09140e-03
Coefficient D			1.43700e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	407.41	J/mol×K	273.00	Calculated Property
Cp,gas	527.92	J/mol×K	353.78	Calculated Property
Cp,gas	636.18	J/mol×K	434.56	Calculated Property
Cp,gas	732.64	J/mol×K	515.33	Calculated Property
Cp,gas	817.76	J/mol×K	596.11	Calculated Property
Cp,gas	891.99	J/mol×K	676.89	Calculated Property
Cp,gas	955.79	J/mol×K	757.67	Calculated Property
Cp,gas	1009.60	J/mol×K	838.44	Calculated Property
Cp,gas	1053.89	J/mol×K	919.22	Calculated Property
Cp,gas	1089.11	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0017404; 0.0000674]	Pa×s	[425.85; 731.16]	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			-1.41399e+01
Coefficient B			3.31578e+03
Coefficient C			0.00000e+00
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Temperature range, min.			425.85
Temperature range, max.			731.16
η	0.0017404	Pa×s	425.85	Calculated Property
η	0.0009798	Pa×s	459.77	Calculated Property
η	0.0005970	Pa×s	493.70	Calculated Property
η	0.0003876	Pa×s	527.62	Calculated Property
η	0.0002652	Pa×s	561.54	Calculated Property
η	0.0001894	Pa×s	595.47	Calculated Property
η	0.0001403	Pa×s	629.39	Calculated Property
η	0.0001072	Pa×s	663.31	Calculated Property
η	0.0000840	Pa×s	697.24	Calculated Property
η	0.0000674	Pa×s	731.16	Calculated Property

Similar Compounds

Find more compounds similar to Glutaric acid, di(2-(cyclohexyl)ethyl) 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

Note: Cheméo is only indexing the data, follow the source links to retrieve the latest data. The source is also providing more information like the publication year, authors and more. Take the time to validate and double check the source of the data.
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