Chemical Properties of 1-Aminopyrene, TFA

InChI

InChI=1S/C18H10F3NO/c19-18(20,21)17(23)22-14-9-7-12-5-4-10-2-1-3-11-6-8-13(14)16(12)15(10)11/h1-9H,(H,22,23)

InChI Key

IDPMQFBEJUQEGX-UHFFFAOYSA-N

Formula

C18H10F3NO

SMILES

O=C(Nc1ccc2ccc3cccc4ccc1c2c34)C(F)(F)F

Molecular Weight¹

313.28

• 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).
• 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°	37.81	kJ/mol	Joback Calculated Property
IE	7.66	eV	Relay (1.0) Calculated Property
logPoct/wat	5.085		Crippen Calculated Property
McVol	203.500	ml/mol	McGowan Calculated Property
Inp	[413.68; 413.72]
Inp	413.68		NIST
Inp	413.72		NIST
Tfus	433.43	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, 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.

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[572.35; 632.37]	J/mol×K	[800.72; 1031.37]
Cp,gas	572.35	J/mol×K	800.72	Joback Calculated Property
Cp,gas	583.11	J/mol×K	839.16	Joback Calculated Property
Cp,gas	593.32	J/mol×K	877.60	Joback Calculated Property
Cp,gas	603.16	J/mol×K	916.05	Joback Calculated Property
Cp,gas	612.83	J/mol×K	954.49	Joback Calculated Property
Cp,gas	622.50	J/mol×K	992.93	Joback Calculated Property
Cp,gas	632.37	J/mol×K	1031.37	Joback Calculated Property

Similar Compounds

Find more compounds similar to 1-Aminopyrene, TFA.

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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