Chemical Properties of L-Glutamic acid, N-trifluoroacetyl-, bis(2,2,3,3,3-pentafluoropropyl) ester

InChI

InChI=1S/C13H10F13NO5/c14-9(15,12(21,22)23)3-31-6(28)2-1-5(27-8(30)11(18,19)20)7(29)32-4-10(16,17)13(24,25)26/h5H,1-4H2,(H,27,30)

InChI Key

RAALFVHWLBEPBO-UHFFFAOYSA-N

Formula

C13H10F13NO5

SMILES

O=C(CCC(NC(=O)C(F)(F)F)C(=O)OCC(F)(F)C(F)(F)F)OCC(F)(F)C(F)(F)F

Molecular Weight¹

507.20

• 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	0.8217		Relay (1.0) Calculated Property
ΔfG°	-2969.56	kJ/mol	Joback Calculated Property
ΔfH°gas	-3635.44	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	41.14	kJ/mol	Joback Calculated Property
ΔvapH°	82.54	kJ/mol	Relay (1.0) Calculated Property
IE	10.38	eV	Relay (1.0) Calculated Property
log10WS	-5.89		Relay (1.0) Calculated Property
logPoct/wat	3.295		Crippen Calculated Property
McVol	243.470	ml/mol	McGowan Calculated Property
Pc	1293.93	kPa	Joback Calculated Property
Inp	[1255.20; 1255.20]
Inp	1255.20		NIST
Inp	1255.20		NIST
Tboil	512.84	K	Relay (1.0) Calculated Property
Tc	659.51	K	Relay (1.0) Calculated Property
Tfus	381.37	K	Relay (1.0) Calculated Property
Vc	0.934	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[758.63; 808.44]	J/mol×K	[727.38; 891.90]
Cp,gas	758.63	J/mol×K	727.38	Joback Calculated Property
Cp,gas	768.67	J/mol×K	754.80	Joback Calculated Property
Cp,gas	777.95	J/mol×K	782.22	Joback Calculated Property
Cp,gas	786.50	J/mol×K	809.64	Joback Calculated Property
Cp,gas	794.40	J/mol×K	837.06	Joback Calculated Property
Cp,gas	801.69	J/mol×K	864.48	Joback Calculated Property
Cp,gas	808.44	J/mol×K	891.90	Joback Calculated Property

Similar Compounds

Find more compounds similar to L-Glutamic acid, N-trifluoroacetyl-, bis(2,2,3,3,3-pentafluoropropyl) ester.

Sources

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

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