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

InChI

InChI=1S/C21H28F5NO3/c1-2-3-4-5-6-7-11-14-30-18(28)17(15-16-12-9-8-10-13-16)27-19(29)20(22,23)21(24,25)26/h8-10,12-13,17H,2-7,11,14-15H2,1H3,(H,27,29)

InChI Key

SJYNVAKMXGSJME-UHFFFAOYSA-N

Formula

C21H28F5NO3

SMILES

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

Molecular Weight¹

437.44

• 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).
• 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
ΔfG°	-1005.91	kJ/mol	Joback Calculated Property
ΔfH°gas	-1547.48	kJ/mol	Joback Calculated Property
ΔfusH°	50.72	kJ/mol	Joback Calculated Property
ΔvapH°	79.89	kJ/mol	Joback Calculated Property
log10WS	-6.63		Crippen Calculated Property
logPoct/wat	5.205		Crippen Calculated Property
McVol	310.830	ml/mol	McGowan Calculated Property
Pc	1141.34	kPa	Joback Calculated Property
Inp	[2178.00; 2178.00]
Inp	2178.00		NIST
Inp	2178.00		NIST
Tboil	876.34	K	Joback Calculated Property
Tc	1074.53	K	Joback Calculated Property
Tfus	520.39	K	Joback Calculated Property
Vc	1.230	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[1006.35; 1081.10]	J/mol×K	[876.34; 1074.53]
Cp,gas	1006.35	J/mol×K	876.34	Joback Calculated Property
Cp,gas	1021.05	J/mol×K	909.37	Joback Calculated Property
Cp,gas	1034.75	J/mol×K	942.40	Joback Calculated Property
Cp,gas	1047.52	J/mol×K	975.44	Joback Calculated Property
Cp,gas	1059.45	J/mol×K	1008.47	Joback Calculated Property
Cp,gas	1070.62	J/mol×K	1041.50	Joback Calculated Property
Cp,gas	1081.10	J/mol×K	1074.53	Joback Calculated Property

Similar Compounds

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

Sources

• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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