Chemical Properties of Glutaric acid, 2,3-dichlorophenyl trans-4-tert-butylcyclohexyl ester

InChI

InChI=1S/C21H28Cl2O4/c1-21(2,3)14-10-12-15(13-11-14)26-18(24)8-5-9-19(25)27-17-7-4-6-16(22)20(17)23/h4,6-7,14-15H,5,8-13H2,1-3H3

InChI Key

UXNIHVYSVFSRDN-UHFFFAOYSA-N

Formula

C21H28Cl2O4

SMILES

CC(C)(C)C1CCC(OC(=O)CCCC(=O)Oc2cccc(Cl)c2Cl)CC1

Molecular Weight¹

415.35

• 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°	46.03	kJ/mol	Joback Calculated Property
logPoct/wat	6.217		Crippen Calculated Property
McVol	311.490	ml/mol	McGowan Calculated Property
Inp	[3029.00; 3029.00]
Inp	3029.00		NIST
Inp	3029.00		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	[420.99; 1004.09]	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			-2.90470e+01
Coefficient B			1.92636e+00
Coefficient C			-1.06472e-03
Coefficient D			1.71500e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	420.99	J/mol×K	273.00	Calculated Property
Cp,gas	526.79	J/mol×K	353.78	Calculated Property
Cp,gas	621.08	J/mol×K	434.56	Calculated Property
Cp,gas	704.39	J/mol×K	515.33	Calculated Property
Cp,gas	777.26	J/mol×K	596.11	Calculated Property
Cp,gas	840.24	J/mol×K	676.89	Calculated Property
Cp,gas	893.87	J/mol×K	757.67	Calculated Property
Cp,gas	938.70	J/mol×K	838.44	Calculated Property
Cp,gas	975.26	J/mol×K	919.22	Calculated Property
Cp,gas	1004.09	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0004573; 0.0000482]	Pa×s	[527.95; 804.21]	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			-1.42399e+01
Coefficient B			3.45790e+03
Coefficient C			0.00000e+00
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Temperature range, min.			527.95
Temperature range, max.			804.21
η	0.0004573	Pa×s	527.95	Calculated Property
η	0.0003191	Pa×s	558.65	Calculated Property
η	0.0002311	Pa×s	589.34	Calculated Property
η	0.0001729	Pa×s	620.04	Calculated Property
η	0.0001329	Pa×s	650.73	Calculated Property
η	0.0001046	Pa×s	681.43	Calculated Property
η	0.0000840	Pa×s	712.12	Calculated Property
η	0.0000688	Pa×s	742.82	Calculated Property
η	0.0000572	Pa×s	773.51	Calculated Property
η	0.0000482	Pa×s	804.21	Calculated Property

Similar Compounds

Find more compounds similar to Glutaric acid, 2,3-dichlorophenyl trans-4-tert-butylcyclohexyl 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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