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

InChI

InChI=1S/C11H16F5NO3/c1-4-20-8(18)7(5-6(2)3)17-9(19)10(12,13)11(14,15)16/h6-7H,4-5H2,1-3H3,(H,17,19)

InChI Key

NOWSOGLMWULXHQ-UHFFFAOYSA-N

Formula

C11H16F5NO3

SMILES

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

Molecular Weight¹

305.24

• 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	0.5923		Relay (1.0) Calculated Property
ΔfG°	-1204.96	kJ/mol	Joback Calculated Property
ΔfH°gas	-1762.10	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	27.26	kJ/mol	Joback Calculated Property
ΔvapH°	67.30	kJ/mol	Relay (1.0) Calculated Property
IE	9.81	eV	Relay (1.0) Calculated Property
log10WS	-3.70		Relay (1.0) Calculated Property
logPoct/wat	2.278		Crippen Calculated Property
McVol	193.690	ml/mol	McGowan Calculated Property
Pc	1853.11	kPa	Joback Calculated Property
Inp	[1181.00; 1181.00]
Inp	1181.00		NIST
Inp	1181.00		NIST
Tboil	473.26	K	Relay (1.0) Calculated Property
Tc	615.79	K	Relay (1.0) Calculated Property
Tfus	302.95	K	Relay (1.0) Calculated Property
Vc	0.693	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[539.55; 606.02]	J/mol×K	[620.42; 790.36]
Cp,gas	539.55	J/mol×K	620.42	Joback Calculated Property
Cp,gas	552.38	J/mol×K	648.74	Joback Calculated Property
Cp,gas	564.47	J/mol×K	677.07	Joback Calculated Property
Cp,gas	575.85	J/mol×K	705.39	Joback Calculated Property
Cp,gas	586.55	J/mol×K	733.72	Joback Calculated Property
Cp,gas	596.59	J/mol×K	762.04	Joback Calculated Property
Cp,gas	606.02	J/mol×K	790.36	Joback Calculated Property

Similar Compounds

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

Sources

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

Note: Cheméo is only indexing the data, follow the source links to retrieve the latest data. The source is also providing more information like the publication year, authors and more. Take the time to validate and double check the source of the data.