Chemical Properties of Amineptine (CAS 57574-09-1)

InChI

InChI=1S/C22H27NO2/c24-21(25)13-3-1-2-8-16-23-22-19-11-6-4-9-17(19)14-15-18-10-5-7-12-20(18)22/h4-7,9-12,22-23H,1-3,8,13-16H2,(H,24,25)

InChI Key

ONNOFKFOZAJDHT-UHFFFAOYSA-N

Formula

C22H27NO2

SMILES

O=C(O)CCCCCCNC1c2ccccc2CCc2ccccc21

Molecular Weight¹

337.46

CAS

57574-09-1

• 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).
• P_c : Critical Pressure (kPa).
• I_np : Non-polar retention indices.
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ΔfusH°	53.42	kJ/mol	Joback Calculated Property
logPoct/wat	4.499		Crippen Calculated Property
McVol	279.880	ml/mol	McGowan Calculated Property
Pc	1644.42	kPa	Joback Calculated Property
Inp	[3085.00; 3085.00]
Inp	3085.00		NIST
Inp	3085.00		NIST

Cheméo can also estimate Normal Boiling Point Temperature, Normal melting (fusion) point, Critical Temperature, 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	[369.14; 938.61]	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			-1.03174e+02
Coefficient B			2.09490e+00
Coefficient C			-1.44272e-03
Coefficient D			3.89600e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	369.14	J/mol×K	273.00	Calculated Property
Cp,gas	474.64	J/mol×K	353.78	Calculated Property
Cp,gas	566.71	J/mol×K	434.56	Calculated Property
Cp,gas	646.58	J/mol×K	515.33	Calculated Property
Cp,gas	715.48	J/mol×K	596.11	Calculated Property
Cp,gas	774.65	J/mol×K	676.89	Calculated Property
Cp,gas	825.31	J/mol×K	757.67	Calculated Property
Cp,gas	868.70	J/mol×K	838.44	Calculated Property
Cp,gas	906.06	J/mol×K	919.22	Calculated Property
Cp,gas	938.61	J/mol×K	1000.00	Calculated Property

Similar Compounds

Find more compounds similar to Amineptine.

Sources

• Cheméo Relay (1.0)
• 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.
These property values are available through the Cheméo API. A free account gives you an access key.