Chemical Properties of Tyr, TFE-PFP

InChI

InChI=1S/C17H10F13NO5/c18-13(19,20)6-35-10(32)9(31-11(33)14(21,22)16(25,26)27)5-7-1-3-8(4-2-7)36-12(34)15(23,24)17(28,29)30/h1-4,9H,5-6H2,(H,31,33)

InChI Key

VETSZNAHNSVCCT-UHFFFAOYSA-N

Formula

C17H10F13NO5

SMILES

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

Molecular Weight¹

555.24

Other Names

• Tyrosine, TFE-PFP

• ω : Acentric Factor.
• Δ_fG° : Standard Gibbs free energy of formation (kJ/mol).
• Δ_fH°_gas : Enthalpy of formation 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	0.9707		Relay (1.0) Calculated Property
ΔfG°	-2683.70	kJ/mol	Relay (1.0-beta) Calculated Property
ΔfH°gas	-3546.65	kJ/mol	Relay (1.0) Calculated Property
ΔvapH°	109.08	kJ/mol	Relay (1.0) Calculated Property
IE	9.33	eV	Relay (1.0) Calculated Property
log10WS	-6.89		Relay (1.0) Calculated Property
logPoct/wat	4.960		Crippen Calculated Property
McVol	276.070	ml/mol	McGowan Calculated Property
Pc	1163.25	kPa	Joback Calculated Property
Inp	[1518.00; 1518.00]
Inp	1518.00		NIST
Inp	1518.00		NIST
Inp	1518.00		NIST
Tboil	586.13	K	Relay (1.0) Calculated Property
Tc	759.63	K	Relay (1.0) Calculated Property
Tfus	397.48	K	Relay (1.0) Calculated Property
Vc	1.020	m3/kmol	Relay (1.0) Calculated Property

Similar Compounds

Find more compounds similar to Tyr, TFE-PFP.

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

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