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

InChI

InChI=1S/C18H20N2O2/c1-14(21)20-13-12-18(17(19)22,15-8-4-2-5-9-15)16-10-6-3-7-11-16/h2-11H,12-13H2,1H3,(H2,19,22)(H,20,21)

InChI Key

SUSVAGLOTXKSAV-UHFFFAOYSA-N

Formula

C18H20N2O2

SMILES

CC(=O)NCCC(C(N)=O)(c1ccccc1)c1ccccc1

Molecular Weight¹

296.36

• 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

Property	Value	Unit	Source
ΔfusH°	36.54	kJ/mol	Joback Calculated Property
log10WS	-3.06		Relay (1.0) Calculated Property
logPoct/wat	1.984		Crippen Calculated Property
McVol	240.060	ml/mol	McGowan Calculated Property
Inp	[2640.00; 2640.00]
Inp	2640.00		NIST
Inp	2640.00		NIST
Tfus	410.30	K	Relay (1.0) Calculated Property

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	[309.76; 763.28]	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			-8.57580e+01
Coefficient B			1.76392e+00
Coefficient C			-1.24420e-03
Coefficient D			3.29320e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	309.76	J/mol×K	273.00	Calculated Property
Cp,gas	397.14	J/mol×K	353.78	Calculated Property
Cp,gas	472.83	J/mol×K	434.56	Calculated Property
Cp,gas	537.90	J/mol×K	515.33	Calculated Property
Cp,gas	593.37	J/mol×K	596.11	Calculated Property
Cp,gas	640.29	J/mol×K	676.89	Calculated Property
Cp,gas	679.70	J/mol×K	757.67	Calculated Property
Cp,gas	712.64	J/mol×K	838.44	Calculated Property
Cp,gas	740.15	J/mol×K	919.22	Calculated Property
Cp,gas	763.28	J/mol×K	1000.00	Calculated Property

Similar Compounds

Find more compounds similar to DISOPYRAMIDE, 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

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Calculated This icon marks a calculated value or equation: a prediction, not a measurement.
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