Chemical Properties of Beta-diethylamino ethyl ester of dicyclohexylamino acetic acid (CAS 78546-03-9)

InChI

InChI=1S/C20H38N2O2/c1-3-21(4-2)15-16-24-20(23)17-22(18-11-7-5-8-12-18)19-13-9-6-10-14-19/h18-19H,3-17H2,1-2H3

InChI Key

JMAZNPAZWQLLKM-UHFFFAOYSA-N

Formula

C20H38N2O2

SMILES

CCN(CC)CCOC(=O)CN(C1CCCCC1)C1CCCCC1

Molecular Weight¹

338.53

CAS

78546-03-9

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• Δ_fusH° : Enthalpy of fusion at standard conditions (kJ/mol).
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• T_fus : Normal melting (fusion) point (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Cheméo can also estimate Normal Boiling Point Temperature, 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	[400.87; 1105.47]	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			-1.42475e+02
Coefficient B			2.34104e+00
Coefficient C			-1.35680e-03
Coefficient D			2.63700e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	400.87	J/mol×K	273.00	Calculated Property
Cp,gas	527.59	J/mol×K	353.78	Calculated Property
Cp,gas	640.26	J/mol×K	434.56	Calculated Property
Cp,gas	739.71	J/mol×K	515.33	Calculated Property
Cp,gas	826.77	J/mol×K	596.11	Calculated Property
Cp,gas	902.28	J/mol×K	676.89	Calculated Property
Cp,gas	967.07	J/mol×K	757.67	Calculated Property
Cp,gas	1021.97	J/mol×K	838.44	Calculated Property
Cp,gas	1067.83	J/mol×K	919.22	Calculated Property
Cp,gas	1105.47	J/mol×K	1000.00	Calculated Property

Similar Compounds

Find more compounds similar to Beta-diethylamino ethyl ester of dicyclohexylamino acetic acid.

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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