Chemical Properties of L-Phenylalanine, N-pentafluoropropionyl-, butyl ester

InChI

InChI=1S/C16H18F5NO3/c1-2-3-9-25-13(23)12(10-11-7-5-4-6-8-11)22-14(24)15(17,18)16(19,20)21/h4-8,12H,2-3,9-10H2,1H3,(H,22,24)

InChI Key

AYCLHSDTIGUZDL-UHFFFAOYSA-N

Formula

C16H18F5NO3

SMILES

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

Molecular Weight¹

367.31

• ω : Acentric Factor.
• 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).
• 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	0.7092		Relay (1.0) Calculated Property
ΔfusH°	37.77	kJ/mol	Joback Calculated Property
log10WS	-4.59		Relay (1.0) Calculated Property
logPoct/wat	3.255		Crippen Calculated Property
McVol	240.380	ml/mol	McGowan Calculated Property
Pc	1625.91	kPa	Joback Calculated Property
Inp	[1709.00; 1709.00]
Inp	1709.00		NIST
Inp	1709.00		NIST
Tboil	567.21	K	Relay (1.0) Calculated Property
Tc	733.35	K	Relay (1.0) Calculated Property
Tfus	312.77	K	Relay (1.0) Calculated Property
Vc	0.854	m3/kmol	Relay (1.0) Calculated Property

Cheméo can also estimate Enthalpy of formation at standard conditions, Enthalpy of vaporization at standard conditions, Standard Gibbs free energy of formation, 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	[720.72; 786.21]	J/mol×K	[761.94; 952.51]
Cp,gas	720.72	J/mol×K	761.94	Joback Calculated Property
Cp,gas	733.76	J/mol×K	793.70	Joback Calculated Property
Cp,gas	745.86	J/mol×K	825.46	Joback Calculated Property
Cp,gas	757.10	J/mol×K	857.22	Joback Calculated Property
Cp,gas	767.53	J/mol×K	888.98	Joback Calculated Property
Cp,gas	777.22	J/mol×K	920.74	Joback Calculated Property
Cp,gas	786.21	J/mol×K	952.51	Joback Calculated Property

Similar Compounds

Find more compounds similar to L-Phenylalanine, N-pentafluoropropionyl-, butyl ester.

Sources

• Cheméo Relay (1.0)
• 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.