Chemical Properties of 1-Adamantanecarboxamide, N-(4-fluorophenyl)-

InChI

InChI=1S/C17H20FNO/c18-14-1-3-15(4-2-14)19-16(20)17-8-11-5-12(9-17)7-13(6-11)10-17/h1-4,11-13H,5-10H2,(H,19,20)

InChI Key

TTZQRXNXZRWGHT-UHFFFAOYSA-N

Formula

C17H20FNO

SMILES

O=C(Nc1ccc(F)cc1)C12CC3CC(CC(C3)C1)C2

Molecular Weight¹

273.35

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• Δ_fusH° : Enthalpy of fusion at standard conditions (kJ/mol).
• IE : Ionization energy (eV).
• 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.
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Cheméo can also estimate Normal Boiling Point Temperature, Normal melting (fusion) point, 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 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	[259.83; 762.77]	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			-2.19830e+02
Coefficient B			2.24890e+00
Coefficient C			-2.00286e-03
Coefficient D			7.36560e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	259.83	J/mol×K	273.00	Calculated Property
Cp,gas	357.72	J/mol×K	353.78	Calculated Property
Cp,gas	439.67	J/mol×K	434.56	Calculated Property
Cp,gas	508.01	J/mol×K	515.33	Calculated Property
Cp,gas	565.07	J/mol×K	596.11	Calculated Property
Cp,gas	613.19	J/mol×K	676.89	Calculated Property
Cp,gas	654.69	J/mol×K	757.67	Calculated Property
Cp,gas	691.90	J/mol×K	838.44	Calculated Property
Cp,gas	727.15	J/mol×K	919.22	Calculated Property
Cp,gas	762.77	J/mol×K	1000.00	Calculated Property

Similar Compounds

Find more compounds similar to 1-Adamantanecarboxamide, N-(4-fluorophenyl)-.

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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