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

InChI

InChI=1S/C14H22F5NO3/c1-4-6-7-8-23-11(21)10(9(3)5-2)20-12(22)13(15,16)14(17,18)19/h9-10H,4-8H2,1-3H3,(H,20,22)

InChI Key

VRYLXQBYWUKEGJ-UHFFFAOYSA-N

Formula

C14H22F5NO3

SMILES

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

Molecular Weight¹

347.32

• 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°	-1179.70	kJ/mol	Joback Calculated Property
ΔfH°gas	-1644.81	kJ/mol	Joback Calculated Property
ΔfusH°	35.03	kJ/mol	Joback Calculated Property
ΔvapH°	61.64	kJ/mol	Joback Calculated Property
log10WS	-4.36		Crippen Calculated Property
logPoct/wat	3.448		Crippen Calculated Property
McVol	235.960	ml/mol	McGowan Calculated Property
Pc	1466.85	kPa	Joback Calculated Property
Inp	[1472.00; 1472.00]
Inp	1472.00		NIST
Inp	1472.00		NIST
Tboil	689.06	K	Joback Calculated Property
Tc	859.18	K	Joback Calculated Property
Tfus	400.08	K	Joback Calculated Property
Vc	0.941	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[697.22; 770.86]	J/mol×K	[689.06; 859.18]
Cp,gas	697.22	J/mol×K	689.06	Joback Calculated Property
Cp,gas	711.39	J/mol×K	717.41	Joback Calculated Property
Cp,gas	724.76	J/mol×K	745.77	Joback Calculated Property
Cp,gas	737.35	J/mol×K	774.12	Joback Calculated Property
Cp,gas	749.21	J/mol×K	802.47	Joback Calculated Property
Cp,gas	760.36	J/mol×K	830.83	Joback Calculated Property
Cp,gas	770.86	J/mol×K	859.18	Joback Calculated Property

Similar Compounds

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

Sources

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

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