Chemical Properties of glutamic acid, trifluoroacetyl-isopropyl ester

InChI

InChI=1S/C13H20F3NO5/c1-7(2)21-10(18)6-5-9(11(19)22-8(3)4)17-12(20)13(14,15)16/h7-9H,5-6H2,1-4H3,(H,17,20)

InChI Key

YVPCHKAGOSZGIG-UHFFFAOYSA-N

Formula

C13H20F3NO5

SMILES

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

Molecular Weight¹

327.30

• 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°	-1037.70	kJ/mol	Joback Calculated Property
ΔfH°gas	-1473.28	kJ/mol	Joback Calculated Property
ΔfusH°	32.95	kJ/mol	Joback Calculated Property
ΔvapH°	71.11	kJ/mol	Joback Calculated Property
log10WS	-2.95		Crippen Calculated Property
logPoct/wat	1.717		Crippen Calculated Property
McVol	225.770	ml/mol	McGowan Calculated Property
Pc	1750.67	kPa	Joback Calculated Property
Inp	[1555.00; 1555.00]
Inp	1555.00		NIST
Inp	1555.00		NIST
Tboil	746.72	K	Joback Calculated Property
Tc	931.16	K	Joback Calculated Property
Tfus	442.37	K	Joback Calculated Property
Vc	0.877	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[672.00; 737.76]	J/mol×K	[746.72; 931.16]
Cp,gas	672.00	J/mol×K	746.72	Joback Calculated Property
Cp,gas	684.98	J/mol×K	777.46	Joback Calculated Property
Cp,gas	697.13	J/mol×K	808.20	Joback Calculated Property
Cp,gas	708.47	J/mol×K	838.94	Joback Calculated Property
Cp,gas	719.00	J/mol×K	869.68	Joback Calculated Property
Cp,gas	728.76	J/mol×K	900.42	Joback Calculated Property
Cp,gas	737.76	J/mol×K	931.16	Joback Calculated Property

Similar Compounds

Find more compounds similar to glutamic acid, trifluoroacetyl-isopropyl ester.

Sources

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

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