Chemical Properties of l-Isoleucine, n-pentafluoropropionyl-, hexadecyl ester

InChI

InChI=1S/C25H44F5NO3/c1-4-6-7-8-9-10-11-12-13-14-15-16-17-18-19-34-22(32)21(20(3)5-2)31-23(33)24(26,27)25(28,29)30/h20-21H,4-19H2,1-3H3,(H,31,33)

InChI Key

WAHNKKFSYAEGJO-UHFFFAOYSA-N

Formula

C25H44F5NO3

SMILES

CCCCCCCCCCCCCCCCOC(=O)C(NC(=O)C(F)(F)C(F)(F)F)C(C)CC

Molecular Weight¹

501.61

• 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°	-1087.08	kJ/mol	Joback Calculated Property
ΔfH°gas	-1871.85	kJ/mol	Joback Calculated Property
ΔfusH°	63.52	kJ/mol	Joback Calculated Property
ΔvapH°	86.13	kJ/mol	Joback Calculated Property
log10WS	-8.96		Crippen Calculated Property
logPoct/wat	7.739		Crippen Calculated Property
McVol	390.950	ml/mol	McGowan Calculated Property
Pc	743.67	kPa	Joback Calculated Property
Inp	[2506.00; 2506.00]
Inp	2506.00		NIST
Inp	2506.00		NIST
Tboil	940.74	K	Joback Calculated Property
Tc	1162.30	K	Joback Calculated Property
Tfus	524.05	K	Joback Calculated Property
Vc	1.556	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[1350.15; 1452.89]	J/mol×K	[940.74; 1162.30]
Cp,gas	1350.15	J/mol×K	940.74	Joback Calculated Property
Cp,gas	1370.36	J/mol×K	977.67	Joback Calculated Property
Cp,gas	1389.17	J/mol×K	1014.59	Joback Calculated Property
Cp,gas	1406.71	J/mol×K	1051.52	Joback Calculated Property
Cp,gas	1423.10	J/mol×K	1088.45	Joback Calculated Property
Cp,gas	1438.45	J/mol×K	1125.38	Joback Calculated Property
Cp,gas	1452.89	J/mol×K	1162.30	Joback Calculated Property

Similar Compounds

Find more compounds similar to l-Isoleucine, n-pentafluoropropionyl-, hexadecyl ester.

Sources

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

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