Chemical Properties of 1-[4-(2,2,2-Trifluoroacetoxy)phenyl]-2-[(trifluoroacetyl)amino]ethyl trifluoroacetate

InChI

InChI=1S/C14H8F9NO5/c15-12(16,17)9(25)24-5-8(29-11(27)14(21,22)23)6-1-3-7(4-2-6)28-10(26)13(18,19)20/h1-4,8H,5H2,(H,24,25)

InChI Key

AOQZMQBDUJCRTH-UHFFFAOYSA-N

Formula

C14H8F9NO5

SMILES

O=C(NCC(OC(=O)C(F)(F)F)c1ccc(OC(=O)C(F)(F)F)cc1)C(F)(F)F

Molecular Weight¹

441.20

Other Names

• p-Octopamine, TFA

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• Δ_fG° : Standard Gibbs free energy of formation (kJ/mol).
• 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).
• 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
ΔfG°	-2084.80	kJ/mol	Joback Calculated Property
ΔfH°gas	-2452.46	kJ/mol	Joback Calculated Property
ΔfusH°	39.90	kJ/mol	Joback Calculated Property
ΔvapH°	69.56	kJ/mol	Joback Calculated Property
log10WS	-4.54		Crippen Calculated Property
logPoct/wat	2.979		Crippen Calculated Property
McVol	226.720	ml/mol	McGowan Calculated Property
Pc	1710.36	kPa	Joback Calculated Property
Inp	[1450.00; 1497.00]
Inp	1487.00		NIST
Inp	1497.00		NIST
Inp	1450.00		NIST
Inp	1450.00		NIST
Inp	1487.00		NIST
Inp	1497.00		NIST
Tboil	791.30	K	Joback Calculated Property
Tc	978.20	K	Joback Calculated Property
Tfus	530.96	K	Joback Calculated Property
Vc	0.923	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[682.59; 725.96]	J/mol×K	[791.30; 978.20]
Cp,gas	682.59	J/mol×K	791.30	Joback Calculated Property
Cp,gas	691.62	J/mol×K	822.45	Joback Calculated Property
Cp,gas	699.87	J/mol×K	853.60	Joback Calculated Property
Cp,gas	707.37	J/mol×K	884.75	Joback Calculated Property
Cp,gas	714.18	J/mol×K	915.90	Joback Calculated Property
Cp,gas	720.36	J/mol×K	947.05	Joback Calculated Property
Cp,gas	725.96	J/mol×K	978.20	Joback Calculated Property

Similar Compounds

Find more compounds similar to 1-[4-(2,2,2-Trifluoroacetoxy)phenyl]-2-[(trifluoroacetyl)amino]ethyl trifluoroacetate.

Sources

• 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.