Chemical Properties of VERAPAMIL, M (N-DESALKYL-), AC

InChI

InChI=1S/C19H28N2O3/c1-14(2)19(13-20,10-7-11-21(4)15(3)22)16-8-9-17(23-5)18(12-16)24-6/h8-9,12,14H,7,10-11H2,1-6H3

InChI Key

DGULUWIIPPFDIS-UHFFFAOYSA-N

Formula

C19H28N2O3

SMILES

COc1ccc(C(C#N)(CCCN(C)C(C)=O)C(C)C)cc1OC

Molecular Weight¹

332.44

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• Δ_fusH° : Enthalpy of fusion at standard conditions (kJ/mol).
• log₁₀WS : Log10 of Water solubility in mol/l.
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• I_np : Non-polar retention indices.
• 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 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	[403.23; 917.48]	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			1.88230e+01
Coefficient B			1.64702e+00
Coefficient C			-9.22820e-04
Coefficient D			1.74460e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	403.23	J/mol×K	273.00	Calculated Property
Cp,gas	493.73	J/mol×K	353.78	Calculated Property
Cp,gas	574.60	J/mol×K	434.56	Calculated Property
Cp,gas	646.39	J/mol×K	515.33	Calculated Property
Cp,gas	709.66	J/mol×K	596.11	Calculated Property
Cp,gas	764.96	J/mol×K	676.89	Calculated Property
Cp,gas	812.84	J/mol×K	757.67	Calculated Property
Cp,gas	853.86	J/mol×K	838.44	Calculated Property
Cp,gas	888.55	J/mol×K	919.22	Calculated Property
Cp,gas	917.48	J/mol×K	1000.00	Calculated Property

Similar Compounds

Find more compounds similar to VERAPAMIL, M (N-DESALKYL-), AC.

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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