Chemical Properties of Phe,TFE-PFP

InChI

InChI=1S/C14H11F8NO3/c15-12(16,17)7-26-10(24)9(6-8-4-2-1-3-5-8)23-11(25)13(18,19)14(20,21)22/h1-5,9H,6-7H2,(H,23,25)

InChI Key

POECKMJIDGHMCD-UHFFFAOYSA-N

Formula

C14H11F8NO3

SMILES

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

Molecular Weight¹

393.23

Other Names

• Phenylalanine, TFE-PFP

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• Δ_fusH° : Enthalpy of fusion 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).
• I_np : Non-polar retention indices.
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ΔfusH°	36.00	kJ/mol	Joback Calculated Property
log10WS	-4.67		Relay (1.0) Calculated Property
logPoct/wat	3.017		Crippen Calculated Property
McVol	217.510	ml/mol	McGowan Calculated Property
Inp	[1444.00; 1444.00]
Inp	1444.00		NIST
Inp	1444.00		NIST
Inp	1444.00		NIST

Cheméo can also estimate Normal Boiling Point Temperature, Normal melting (fusion) point, Critical Temperature, Critical Pressure, Critical Volume, Enthalpy of formation at standard conditions, Enthalpy of vaporization at standard conditions, Standard Gibbs free energy of formation, Acentric Factor, Ionization energy for this compound, but they fall outside the models' validated range, so they are not shown here. Open the prediction tool to compute them on demand.

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[635.43; 692.29]	J/mol×K	[692.89; 871.83]
Cp,gas	635.43	J/mol×K	692.89	Joback Calculated Property
Cp,gas	647.01	J/mol×K	722.71	Joback Calculated Property
Cp,gas	657.66	J/mol×K	752.54	Joback Calculated Property
Cp,gas	667.46	J/mol×K	782.36	Joback Calculated Property
Cp,gas	676.45	J/mol×K	812.18	Joback Calculated Property
Cp,gas	684.71	J/mol×K	842.01	Joback Calculated Property
Cp,gas	692.29	J/mol×K	871.83	Joback Calculated Property

Similar Compounds

Find more compounds similar to Phe,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

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.
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