Chemical Properties of 1-Amino-5,6,7,8-tetrahydronaphthalene, TFA

InChI

InChI=1S/C12H12F3NO/c13-12(14,15)11(17)16-10-7-3-5-8-4-1-2-6-9(8)10/h3,5,7H,1-2,4,6H2,(H,16,17)

InChI Key

CCTAJRYHHDWLPA-UHFFFAOYSA-N

Formula

C12H12F3NO

SMILES

O=C(Nc1cccc2c1CCCC2)C(F)(F)F

Molecular Weight¹

243.23

Other Names

• 5-Amino-1,2,3,4-tetrahydronaphthalene, TFA

• 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_boil : Normal Boiling Point Temperature (K).
• T_fus : Normal melting (fusion) point (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ΔfusH°	23.59	kJ/mol	Joback Calculated Property
IE	8.67	eV	Relay (1.0) Calculated Property
logPoct/wat	3.066		Crippen Calculated Property
McVol	162.180	ml/mol	McGowan Calculated Property
Inp	[272.80; 272.80]
Inp	272.80		NIST
Inp	272.80		NIST
Tboil	557.70	K	Relay (1.0) Calculated Property
Tfus	372.14	K	Relay (1.0) Calculated Property

Cheméo can also estimate 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.

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[217.54; 537.26]	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			-7.46800e+01
Coefficient B			1.32310e+00
Coefficient C			-1.00622e-03
Coefficient D			2.95060e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	217.54	J/mol×K	273.00	Calculated Property
Cp,gas	280.53	J/mol×K	353.78	Calculated Property
Cp,gas	334.48	J/mol×K	434.56	Calculated Property
Cp,gas	380.32	J/mol×K	515.33	Calculated Property
Cp,gas	418.98	J/mol×K	596.11	Calculated Property
Cp,gas	451.39	J/mol×K	676.89	Calculated Property
Cp,gas	478.49	J/mol×K	757.67	Calculated Property
Cp,gas	501.22	J/mol×K	838.44	Calculated Property
Cp,gas	520.50	J/mol×K	919.22	Calculated Property
Cp,gas	537.26	J/mol×K	1000.00	Calculated Property

Similar Compounds

Find more compounds similar to 1-Amino-5,6,7,8-tetrahydronaphthalene, 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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