Chemical Properties of Amphetamine TFA

InChI

InChI=1S/C11H12F3NO/c1-8(15-10(16)11(12,13)14)7-9-5-3-2-4-6-9/h2-6,8H,7H2,1H3,(H,15,16)

InChI Key

DMOCTORDHSLHLA-UHFFFAOYSA-N

Formula

C11H12F3NO

SMILES

CC(Cc1ccccc1)NC(=O)C(F)(F)F

Molecular Weight¹

231.21

Other Names

• N-Trifluoroacetyl amphetamine
• Amphetamine N-TFA

• ω : Acentric Factor.
• C_p,gas : Ideal gas heat capacity (J/mol×K).
• Δ_fH°_gas : Enthalpy of formation at standard conditions (kJ/mol).
• Δ_fusH° : Enthalpy of fusion at standard conditions (kJ/mol).
• Δ_vapH° : Enthalpy of vaporization 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).
• 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
ω	0.4621		Relay (1.0) Calculated Property
ΔfH°gas	-773.19	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	23.29	kJ/mol	Joback Calculated Property
ΔvapH°	69.12	kJ/mol	Relay (1.0) Calculated Property
IE	9.33	eV	Relay (1.0) Calculated Property
log10WS	-1.73		Relay (1.0) Calculated Property
logPoct/wat	2.296		Crippen Calculated Property
McVol	158.950	ml/mol	McGowan Calculated Property
Pc	2563.69	kPa	Joback Calculated Property
Inp	[1293.00; 1293.00]
Inp	1293.00		NIST
Inp	1293.00		NIST
Tboil	504.03	K	Relay (1.0) Calculated Property
Tc	686.10	K	Relay (1.0) Calculated Property
Tfus	320.64	K	Relay (1.0) Calculated Property
Vc	0.559	m3/kmol	Relay (1.0) Calculated Property

Cheméo can also estimate Standard Gibbs free energy of formation for this compound, but it falls outside the models' validated range, so it is not shown here. Open the prediction tool to compute it on demand.

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[399.59; 468.55]	J/mol×K	[576.14; 774.65]
Cp,gas	399.59	J/mol×K	576.14	Joback Calculated Property
Cp,gas	413.27	J/mol×K	609.22	Joback Calculated Property
Cp,gas	426.00	J/mol×K	642.31	Joback Calculated Property
Cp,gas	437.85	J/mol×K	675.39	Joback Calculated Property
Cp,gas	448.85	J/mol×K	708.48	Joback Calculated Property
Cp,gas	459.07	J/mol×K	741.56	Joback Calculated Property
Cp,gas	468.55	J/mol×K	774.65	Joback Calculated Property

Similar Compounds

Find more compounds similar to Amphetamine TFA.

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.
These property values are available through the Cheméo API. A free account gives you an access key.