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

InChI

InChI=1S/C29H44F5NO3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-19-22-38-26(36)25(23-24-20-17-16-18-21-24)35-27(37)28(30,31)29(32,33)34/h16-18,20-21,25H,2-15,19,22-23H2,1H3,(H,35,37)

InChI Key

DYEVCFBWRFGXBK-UHFFFAOYSA-N

Formula

C29H44F5NO3

SMILES

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

Molecular Weight¹

549.66

• 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°	-938.55	kJ/mol	Joback Calculated Property
ΔfH°gas	-1712.60	kJ/mol	Joback Calculated Property
ΔfusH°	71.44	kJ/mol	Joback Calculated Property
ΔvapH°	97.70	kJ/mol	Joback Calculated Property
log10WS	-9.98		Crippen Calculated Property
logPoct/wat	8.326		Crippen Calculated Property
McVol	423.550	ml/mol	McGowan Calculated Property
Pc	719.53	kPa	Joback Calculated Property
Inp	[3055.00; 3055.00]
Inp	3055.00		NIST
Inp	3055.00		NIST
Tboil	1059.38	K	Joback Calculated Property
Tc	1318.63	K	Joback Calculated Property
Tfus	610.55	K	Joback Calculated Property
Vc	1.679	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[1498.99; 1601.66]	J/mol×K	[1059.38; 1318.63]
Cp,gas	1498.99	J/mol×K	1059.38	Joback Calculated Property
Cp,gas	1518.76	J/mol×K	1102.59	Joback Calculated Property
Cp,gas	1537.16	J/mol×K	1145.80	Joback Calculated Property
Cp,gas	1554.42	J/mol×K	1189.00	Joback Calculated Property
Cp,gas	1570.77	J/mol×K	1232.21	Joback Calculated Property
Cp,gas	1586.44	J/mol×K	1275.42	Joback Calculated Property
Cp,gas	1601.66	J/mol×K	1318.63	Joback Calculated Property

Similar Compounds

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

Sources

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

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