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

• 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	0.7046		Relay (... Calculated Property
ΔfG°	-1037.70	kJ/mol	Joback Calculated Property
ΔfH°gas	-1705.96	kJ/mol	Relay (... Calculated Property
ΔfusH°	32.95	kJ/mol	Joback Calculated Property
ΔvapH°	75.08	kJ/mol	Relay (... Calculated Property
IE	9.68	eV	Relay (... Calculated Property
log10WS	-2.18		Relay (... 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	516.82	K	Relay (... Calculated Property
Tc	685.01	K	Relay (... Calculated Property
Tfus	341.27	K	Relay (... Calculated Property
Vc	0.832	m3/kmol	Relay (... 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

• 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.