Chemical Properties of Tryptophan, methyl, 1-PFP

InChI

InChI=1S/C14H11F5N2O3/c1-24-11(22)10(21-12(23)13(15,16)14(17,18)19)8-6-20-9-5-3-2-4-7(8)9/h2-6,10,20H,1H3,(H,21,23)

InChI Key

VDBGHQVUWWIZJQ-UHFFFAOYSA-N

Formula

C14H11F5N2O3

SMILES

COC(=O)C(NC(=O)C(F)(F)C(F)(F)F)c1c[nH]c2ccccc12

Molecular Weight¹

350.24

• 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	0.6410		Relay (... Calculated Property
ΔfG°	-1059.52	kJ/mol	Relay (... Calculated Property ⚠️
ΔfH°gas	-1460.58	kJ/mol	Relay (... Calculated Property
ΔvapH°	100.33	kJ/mol	Relay (... Calculated Property
IE	8.37	eV	Relay (... Calculated Property
log10WS	-4.32		Relay (... Calculated Property
logPoct/wat	2.214		Crippen Calculated Property
McVol	207.020	ml/mol	McGowan Calculated Property
Pc	1891.44	kPa	Relay (... Calculated Property ⚠️
Inp	[2004.00; 2004.00]
Inp	2004.00		NIST
Inp	2004.00		NIST
Tboil	593.97	K	Relay (... Calculated Property
Tc	846.46	K	Relay (... Calculated Property
Tfus	390.45	K	Relay (... Calculated Property
Vc	0.731	m3/kmol	Relay (... Calculated Property

Similar Compounds

Find more compounds similar to Tryptophan, methyl, 1-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
• McGowan Method
• NIST Webbook

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