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

InChI

InChI=1S/C19H24F5NO3/c1-2-3-4-5-9-12-28-16(26)15(13-14-10-7-6-8-11-14)25-17(27)18(20,21)19(22,23)24/h6-8,10-11,15H,2-5,9,12-13H2,1H3,(H,25,27)

InChI Key

BUCMQTRROBFHOK-UHFFFAOYSA-N

Formula

C19H24F5NO3

SMILES

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

Molecular Weight¹

409.39

• 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°	-1022.75	kJ/mol	Joback Calculated Property
ΔfH°gas	-1506.20	kJ/mol	Joback Calculated Property
ΔfusH°	45.54	kJ/mol	Joback Calculated Property
ΔvapH°	75.44	kJ/mol	Joback Calculated Property
log10WS	-5.79		Crippen Calculated Property
logPoct/wat	4.425		Crippen Calculated Property
McVol	282.650	ml/mol	McGowan Calculated Property
Pc	1305.17	kPa	Joback Calculated Property
Inp	[1990.00; 1990.00]
Inp	1990.00		NIST
Inp	1990.00		NIST
Tboil	830.58	K	Joback Calculated Property
Tc	1023.58	K	Joback Calculated Property
Tfus	497.85	K	Joback Calculated Property
Vc	1.119	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[889.59; 960.45]	J/mol×K	[830.58; 1023.58]
Cp,gas	889.59	J/mol×K	830.58	Joback Calculated Property
Cp,gas	903.58	J/mol×K	862.75	Joback Calculated Property
Cp,gas	916.60	J/mol×K	894.91	Joback Calculated Property
Cp,gas	928.73	J/mol×K	927.08	Joback Calculated Property
Cp,gas	940.04	J/mol×K	959.25	Joback Calculated Property
Cp,gas	950.59	J/mol×K	991.41	Joback Calculated Property
Cp,gas	960.45	J/mol×K	1023.58	Joback Calculated Property

Similar Compounds

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

Sources

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

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