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

InChI

InChI=1S/C12H18F5NO3/c1-4-5-21-9(19)8(6-7(2)3)18-10(20)11(13,14)12(15,16)17/h7-8H,4-6H2,1-3H3,(H,18,20)

InChI Key

LSASGAMACFKGEV-UHFFFAOYSA-N

Formula

C12H18F5NO3

SMILES

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

Molecular Weight¹

319.27

• 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	0.6402		Relay (... Calculated Property
ΔfG°	-1196.54	kJ/mol	Joback Calculated Property
ΔfH°gas	-1782.47	kJ/mol	Relay (... Calculated Property
ΔfusH°	29.85	kJ/mol	Joback Calculated Property
ΔvapH°	66.41	kJ/mol	Relay (... Calculated Property
IE	9.75	eV	Relay (... Calculated Property
log10WS	-4.00		Relay (... Calculated Property
logPoct/wat	2.668		Crippen Calculated Property
McVol	207.780	ml/mol	McGowan Calculated Property
Pc	1708.95	kPa	Joback Calculated Property
Inp	[1290.00; 1290.00]
Inp	1290.00		NIST
Inp	1290.00		NIST
Tboil	487.80	K	Relay (... Calculated Property
Tc	622.60	K	Relay (... Calculated Property
Tfus	298.71	K	Relay (... Calculated Property
Vc	0.746	m3/kmol	Relay (... Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[590.84; 659.86]	J/mol×K	[643.30; 812.90]
Cp,gas	590.84	J/mol×K	643.30	Joback Calculated Property
Cp,gas	604.14	J/mol×K	671.57	Joback Calculated Property
Cp,gas	616.68	J/mol×K	699.83	Joback Calculated Property
Cp,gas	628.49	J/mol×K	728.10	Joback Calculated Property
Cp,gas	639.60	J/mol×K	756.37	Joback Calculated Property
Cp,gas	650.05	J/mol×K	784.63	Joback Calculated Property
Cp,gas	659.86	J/mol×K	812.90	Joback Calculated Property

Similar Compounds

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

Sources

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

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