Chemical Properties of leucine, trifluoroacetyl-isopropyl ester

InChI

InChI=1S/C11H18F3NO3/c1-6(2)5-8(9(16)18-7(3)4)15-10(17)11(12,13)14/h6-8H,5H2,1-4H3,(H,15,17)

InChI Key

MGXDWBLMYIJEEM-UHFFFAOYSA-N

Formula

C11H18F3NO3

SMILES

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

Molecular Weight¹

269.26

Other Names

• Leucine, N-trifluoroacetyl, 1-methylethyl ester

• 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	0.5594		Relay (... Calculated Property
ΔfG°	-820.62	kJ/mol	Joback Calculated Property
ΔfH°gas	-1357.18	kJ/mol	Relay (... Calculated Property
ΔfusH°	24.99	kJ/mol	Joback Calculated Property
ΔvapH°	64.96	kJ/mol	Relay (... Calculated Property
IE	9.73	eV	Relay (... Calculated Property
log10WS	-2.51		Relay (... Calculated Property
logPoct/wat	2.031		Crippen Calculated Property
McVol	190.150	ml/mol	McGowan Calculated Property
Pc	1985.89	kPa	Joback Calculated Property
Inp	[1148.00; 1236.00]
Inp	1148.00		NIST
Inp	1236.00		NIST
Tboil	471.88	K	Relay (... Calculated Property
Tc	632.70	K	Relay (... Calculated Property
Tfus	324.18	K	Relay (... Calculated Property
Vc	0.683	m3/kmol	Relay (... Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[520.72; 591.81]	J/mol×K	[624.67; 802.39]
Cp,gas	520.72	J/mol×K	624.67	Joback Calculated Property
Cp,gas	534.34	J/mol×K	654.29	Joback Calculated Property
Cp,gas	547.23	J/mol×K	683.91	Joback Calculated Property
Cp,gas	559.39	J/mol×K	713.53	Joback Calculated Property
Cp,gas	570.86	J/mol×K	743.15	Joback Calculated Property
Cp,gas	581.66	J/mol×K	772.77	Joback Calculated Property
Cp,gas	591.81	J/mol×K	802.39	Joback Calculated Property

Similar Compounds

Find more compounds similar to leucine, trifluoroacetyl-isopropyl 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.