Chemical Properties of l-Leucine, n-pentafluoropropionyl-, butyl ester

InChI

InChI=1S/C13H20F5NO3/c1-4-5-6-22-10(20)9(7-8(2)3)19-11(21)12(14,15)13(16,17)18/h8-9H,4-7H2,1-3H3,(H,19,21)

InChI Key

VTKRPSTXBNEJRS-UHFFFAOYSA-N

Formula

C13H20F5NO3

SMILES

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

Molecular Weight¹

333.29

• ω : Acentric Factor.
• 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).
• IE : Ionization energy (eV).
• 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
ω	0.6799		Relay (... Calculated Property
ΔfG°	-1188.12	kJ/mol	Joback Calculated Property
ΔfH°gas	-1802.97	kJ/mol	Relay (... Calculated Property
ΔfusH°	32.44	kJ/mol	Joback Calculated Property
ΔvapH°	70.27	kJ/mol	Relay (... Calculated Property
IE	9.71	eV	Relay (... Calculated Property
log10WS	-4.32		Relay (... Calculated Property
logPoct/wat	3.058		Crippen Calculated Property
McVol	221.870	ml/mol	McGowan Calculated Property
Pc	1580.97	kPa	Joback Calculated Property
Inp	[1368.00; 1368.00]
Inp	1368.00		NIST
Inp	1368.00		NIST
Tboil	497.77	K	Relay (... Calculated Property
Tc	637.68	K	Relay (... Calculated Property
Tfus	293.32	K	Relay (... Calculated Property
Vc	0.799	m3/kmol	Relay (... Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[643.42; 714.82]	J/mol×K	[666.18; 835.82]
Cp,gas	643.42	J/mol×K	666.18	Joback Calculated Property
Cp,gas	657.17	J/mol×K	694.45	Joback Calculated Property
Cp,gas	670.13	J/mol×K	722.73	Joback Calculated Property
Cp,gas	682.34	J/mol×K	751.00	Joback Calculated Property
Cp,gas	693.84	J/mol×K	779.27	Joback Calculated Property
Cp,gas	704.65	J/mol×K	807.55	Joback Calculated Property
Cp,gas	714.82	J/mol×K	835.82	Joback Calculated Property

Similar Compounds

Find more compounds similar to l-Leucine, n-pentafluoropropionyl-, butyl ester.

Sources

• Cheméo Relay (1.0)
• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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