Chemical Properties of 2-Dimethylamino-methylene-3-isopropylidene succinic acid, diethyl ester (CAS 97176-61-9)

InChI

InChI=1S/C14H23NO4/c1-7-18-13(16)11(9-15(5)6)12(10(3)4)14(17)19-8-2/h9H,7-8H2,1-6H3/b11-9-

InChI Key

QDUVNZPXASUCLM-LUAWRHEFSA-N

Formula

C14H23NO4

SMILES

CCOC(=O)C(=CN(C)C)C(C(=O)OCC)=C(C)C

Molecular Weight¹

269.34

CAS

97176-61-9

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• 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).
• P_c : Critical Pressure (kPa).
• T_boil : Normal Boiling Point Temperature (K).
• T_c : Critical Temperature (K).
• T_fus : Normal melting (fusion) point (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Cheméo can also estimate 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	[323.11; 733.87]	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			2.85200e+00
Coefficient B			1.38792e+00
Coefficient C			-8.35700e-04
Coefficient D			1.78800e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	323.11	J/mol×K	273.00	Calculated Property
Cp,gas	397.19	J/mol×K	353.78	Calculated Property
Cp,gas	462.84	J/mol×K	434.56	Calculated Property
Cp,gas	520.63	J/mol×K	515.33	Calculated Property
Cp,gas	571.12	J/mol×K	596.11	Calculated Property
Cp,gas	614.87	J/mol×K	676.89	Calculated Property
Cp,gas	652.46	J/mol×K	757.67	Calculated Property
Cp,gas	684.45	J/mol×K	838.44	Calculated Property
Cp,gas	711.39	J/mol×K	919.22	Calculated Property
Cp,gas	733.87	J/mol×K	1000.00	Calculated Property

Similar Compounds

Find more compounds similar to 2-Dimethylamino-methylene-3-isopropylidene succinic acid, diethyl ester.

Sources

• Cheméo Relay (1.0)
• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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