Chemical Properties of lysine, trifluoroacetyl-isopropyl ester

InChI

InChI=1S/C13H18F6N2O4/c1-7(2)25-9(22)8(21-11(24)13(17,18)19)5-3-4-6-20-10(23)12(14,15)16/h7-8H,3-6H2,1-2H3,(H,20,23)(H,21,24)

InChI Key

ROKQLTBITCEWNS-UHFFFAOYSA-N

Formula

C13H18F6N2O4

SMILES

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

Molecular Weight¹

380.28

• 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°	-1422.46	kJ/mol	Joback Calculated Property
ΔfH°gas	-1879.39	kJ/mol	Joback Calculated Property
ΔfusH°	42.21	kJ/mol	Joback Calculated Property
ΔvapH°	71.78	kJ/mol	Joback Calculated Property
log10WS	-3.60		Crippen Calculated Property
logPoct/wat	1.834		Crippen Calculated Property
McVol	235.190	ml/mol	McGowan Calculated Property
Pc	1620.68	kPa	Joback Calculated Property
Inp	[1719.00; 1719.00]
Inp	1719.00		NIST
Inp	1719.00		NIST
Tboil	769.49	K	Joback Calculated Property
Tc	948.80	K	Joback Calculated Property
Tfus	491.99	K	Joback Calculated Property
Vc	0.944	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[724.14; 783.16]	J/mol×K	[769.49; 948.80]
Cp,gas	724.14	J/mol×K	769.49	Joback Calculated Property
Cp,gas	735.80	J/mol×K	799.37	Joback Calculated Property
Cp,gas	746.68	J/mol×K	829.26	Joback Calculated Property
Cp,gas	756.82	J/mol×K	859.14	Joback Calculated Property
Cp,gas	766.24	J/mol×K	889.03	Joback Calculated Property
Cp,gas	775.01	J/mol×K	918.91	Joback Calculated Property
Cp,gas	783.16	J/mol×K	948.80	Joback Calculated Property

Similar Compounds

Find more compounds similar to lysine, trifluoroacetyl-isopropyl ester.

Sources

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

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