Chemical Properties of APRINDINE, M(N-DESALKYL-)

InChI

InChI=1S/C15H15N/c1-2-8-14(9-3-1)16-15-10-12-6-4-5-7-13(12)11-15/h1-9,15-16H,10-11H2

InChI Key

MHVHCDLCLNXADJ-UHFFFAOYSA-N

Formula

C15H15N

SMILES

c1ccc(NC2Cc3ccccc3C2)cc1

Molecular Weight¹

209.29

• 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).
• I_np : Non-polar retention indices.
• T_boil : Normal Boiling Point Temperature (K).
• T_c : Critical Temperature (K).
• T_fus : Normal melting (fusion) point (K).
• V_c : Critical Volume (m³/kmol).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ΔfusH°	25.53	kJ/mol	Joback Calculated Property
IE	7.47	eV	Relay (1.0) Calculated Property
logPoct/wat	3.266		Crippen Calculated Property
McVol	173.810	ml/mol	McGowan Calculated Property
Pc	2865.80	kPa	Joback Calculated Property
Inp	[1920.00; 1920.00]
Inp	1920.00		NIST
Inp	1920.00		NIST
Tboil	612.54	K	Relay (1.0) Calculated Property
Tc	902.03	K	Relay (1.0) Calculated Property
Tfus	337.93	K	Relay (1.0) Calculated Property
Vc	0.636	m3/kmol	Relay (1.0) Calculated Property

Cheméo can also estimate 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	[204.47; 569.73]	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			-1.15710e+02
Coefficient B			1.43860e+00
Coefficient C			-1.05636e-03
Coefficient D			3.03200e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	204.47	J/mol×K	273.00	Calculated Property
Cp,gas	274.45	J/mol×K	353.78	Calculated Property
Cp,gas	334.84	J/mol×K	434.56	Calculated Property
Cp,gas	386.61	J/mol×K	515.33	Calculated Property
Cp,gas	430.71	J/mol×K	596.11	Calculated Property
Cp,gas	468.09	J/mol×K	676.89	Calculated Property
Cp,gas	499.73	J/mol×K	757.67	Calculated Property
Cp,gas	526.58	J/mol×K	838.44	Calculated Property
Cp,gas	549.59	J/mol×K	919.22	Calculated Property
Cp,gas	569.73	J/mol×K	1000.00	Calculated Property

Similar Compounds

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

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.
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