Chemical Properties of L-Tyrosine, N,O-di(trifluoroacetyl)-, 2,2,3,3,3-pentafluoropropyl ester

InChI

InChI=1S/C16H10F11NO5/c17-13(18,16(25,26)27)6-32-10(29)9(28-11(30)14(19,20)21)5-7-1-3-8(4-2-7)33-12(31)15(22,23)24/h1-4,9H,5-6H2,(H,28,30)

InChI Key

JGIISNXXOOYZIL-UHFFFAOYSA-N

Formula

C16H10F11NO5

SMILES

O=C(OCC(F)(F)C(F)(F)F)C(Cc1ccc(OC(=O)C(F)(F)F)cc1)NC(=O)C(F)(F)F

Molecular Weight¹

505.24

• ω : Acentric Factor.
• 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).
• 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	0.8210		Relay (1.0) Calculated Property
ΔfG°	-2454.74	kJ/mol	Joback Calculated Property
ΔfH°gas	-3049.70	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	43.82	kJ/mol	Joback Calculated Property
ΔvapH°	94.63	kJ/mol	Relay (1.0) Calculated Property
IE	9.64	eV	Relay (1.0) Calculated Property
log10WS	-5.93		Relay (1.0) Calculated Property
logPoct/wat	3.485		Crippen Calculated Property
McVol	258.440	ml/mol	McGowan Calculated Property
Pc	1391.25	kPa	Joback Calculated Property
Inp	[1506.40; 1506.40]
Inp	1506.40		NIST
Inp	1506.40		NIST
Tboil	557.03	K	Relay (1.0) Calculated Property
Tc	737.69	K	Relay (1.0) Calculated Property
Tfus	377.97	K	Relay (1.0) Calculated Property
Vc	0.948	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[807.24; 852.32]	J/mol×K	[832.37; 1021.15]
Cp,gas	807.24	J/mol×K	832.37	Joback Calculated Property
Cp,gas	816.53	J/mol×K	863.83	Joback Calculated Property
Cp,gas	825.01	J/mol×K	895.30	Joback Calculated Property
Cp,gas	832.76	J/mol×K	926.76	Joback Calculated Property
Cp,gas	839.84	J/mol×K	958.22	Joback Calculated Property
Cp,gas	846.34	J/mol×K	989.68	Joback Calculated Property
Cp,gas	852.32	J/mol×K	1021.15	Joback Calculated Property

Similar Compounds

Find more compounds similar to L-Tyrosine, N,O-di(trifluoroacetyl)-, 2,2,3,3,3-pentafluoropropyl ester.

Sources

• Cheméo Relay (1.0)
• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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