Chemical Properties of Glutaric acid, cyclohexylmethyl 2,4,4-trimethylpentyl ester

InChI

InChI=1S/C20H36O4/c1-16(13-20(2,3)4)14-23-18(21)11-8-12-19(22)24-15-17-9-6-5-7-10-17/h16-17H,5-15H2,1-4H3

InChI Key

SOZSIQOAKKKNNY-UHFFFAOYSA-N

Formula

C20H36O4

SMILES

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

Molecular Weight¹

340.50

• 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).
• 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°	37.19	kJ/mol	Joback Calculated Property
logPoct/wat	4.896		Crippen Calculated Property
McVol	296.680	ml/mol	McGowan Calculated Property
Inp	[2296.00; 2296.00]
Inp	2296.00		NIST
Inp	2296.00		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, 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	[422.54; 1054.45]	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			-5.62340e+01
Coefficient B			2.04808e+00
Coefficient C			-1.13100e-03
Coefficient D			1.93600e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	422.54	J/mol×K	273.00	Calculated Property
Cp,gas	535.35	J/mol×K	353.78	Calculated Property
Cp,gas	636.08	J/mol×K	434.56	Calculated Property
Cp,gas	725.35	J/mol×K	515.33	Calculated Property
Cp,gas	803.76	J/mol×K	596.11	Calculated Property
Cp,gas	871.93	J/mol×K	676.89	Calculated Property
Cp,gas	930.47	J/mol×K	757.67	Calculated Property
Cp,gas	980.00	J/mol×K	838.44	Calculated Property
Cp,gas	1021.12	J/mol×K	919.22	Calculated Property
Cp,gas	1054.45	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0023245; 0.0000592]	Pa×s	[394.62; 691.18]	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			-1.46186e+01
Coefficient B			3.37571e+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.			394.62
Temperature range, max.			691.18
η	0.0023245	Pa×s	394.62	Calculated Property
η	0.0012023	Pa×s	427.57	Calculated Property
η	0.0006834	Pa×s	460.52	Calculated Property
η	0.0004189	Pa×s	493.47	Calculated Property
η	0.0002730	Pa×s	526.43	Calculated Property
η	0.0001871	Pa×s	559.38	Calculated Property
η	0.0001338	Pa×s	592.33	Calculated Property
η	0.0000991	Pa×s	625.28	Calculated Property
η	0.0000756	Pa×s	658.23	Calculated Property
η	0.0000592	Pa×s	691.18	Calculated Property

Similar Compounds

Find more compounds similar to Glutaric acid, cyclohexylmethyl 2,4,4-trimethylpentyl 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.
Calculated This icon marks a calculated value or equation: a prediction, not a measurement.
These property values are available through the Cheméo API. A free account gives you an access key.