Chemical Properties of l-Phenylalanine, n-pentafluoropropionyl-, decyl ester

InChI

InChI=1S/C22H30F5NO3/c1-2-3-4-5-6-7-8-12-15-31-19(29)18(16-17-13-10-9-11-14-17)28-20(30)21(23,24)22(25,26)27/h9-11,13-14,18H,2-8,12,15-16H2,1H3,(H,28,30)

InChI Key

UVEMRDVEVRJYRW-UHFFFAOYSA-N

Formula

C22H30F5NO3

SMILES

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

Molecular Weight¹

451.47

• 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	0.9548		Relay (1.0) Calculated Property
ΔfG°	-997.49	kJ/mol	Joback Calculated Property
ΔfH°gas	-1726.21	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	53.31	kJ/mol	Joback Calculated Property
ΔvapH°	108.27	kJ/mol	Relay (1.0) Calculated Property
IE	9.35	eV	Relay (1.0) Calculated Property
log10WS	-6.52		Relay (1.0) Calculated Property
logPoct/wat	5.595		Crippen Calculated Property
McVol	324.920	ml/mol	McGowan Calculated Property
Pc	1070.76	kPa	Joback Calculated Property
Inp	[2277.00; 2277.00]
Inp	2277.00		NIST
Inp	2277.00		NIST
Tboil	628.17	K	Relay (1.0) Calculated Property
Tc	796.01	K	Relay (1.0) Calculated Property
Tfus	329.27	K	Relay (1.0) Calculated Property
Vc	1.177	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[1065.82; 1142.77]	J/mol×K	[899.22; 1101.26]
Cp,gas	1065.82	J/mol×K	899.22	Joback Calculated Property
Cp,gas	1080.94	J/mol×K	932.89	Joback Calculated Property
Cp,gas	1095.02	J/mol×K	966.57	Joback Calculated Property
Cp,gas	1108.15	J/mol×K	1000.24	Joback Calculated Property
Cp,gas	1120.43	J/mol×K	1033.92	Joback Calculated Property
Cp,gas	1131.94	J/mol×K	1067.59	Joback Calculated Property
Cp,gas	1142.77	J/mol×K	1101.26	Joback Calculated Property

Similar Compounds

Find more compounds similar to l-Phenylalanine, n-pentafluoropropionyl-, decyl ester.

Sources

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

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