Chemical Properties of L-Threonine, N-(trifluoroacetyl)-, butyl ester (CAS 23403-41-0)

InChI

InChI=1S/C10H16F3NO4/c1-3-4-5-18-8(16)7(6(2)15)14-9(17)10(11,12)13/h6-7,15H,3-5H2,1-2H3,(H,14,17)/t6-,7+/m0/s1

InChI Key

FKTFFGPAZUBWBK-NKWVEPMBSA-N

Formula

C10H16F3NO4

SMILES

CCCCOC(=O)C(NC(=O)C(F)(F)F)C(C)O

Molecular Weight¹

271.23

CAS

23403-41-0

Other Names

• Threonine, N-(trifluoroacetyl)-, butyl ester, L-
• Threonine, N-(trifluoroacetyl)-, butyl ester
• Thr, butyl ester, TFA
• Thr, TFA, butyl ester
• Thr TFA Bu

• 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	0.7387		Relay (1.0) Calculated Property
ΔfG°	-963.42	kJ/mol	Joback Calculated Property
ΔfH°gas	-1493.43	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	30.01	kJ/mol	Joback Calculated Property
ΔvapH°	76.70	kJ/mol	Relay (1.0) Calculated Property
IE	10.11	eV	Relay (1.0) Calculated Property
log10WS	-1.36		Relay (1.0) Calculated Property
logPoct/wat	0.758		Crippen Calculated Property
McVol	181.930	ml/mol	McGowan Calculated Property
Pc	2347.36	kPa	Joback Calculated Property
Inp	[1246.00; 1246.00]
Inp	1246.00		NIST
Inp	1246.00		NIST
Tboil	505.98	K	Relay (1.0) Calculated Property
Tc	672.08	K	Relay (1.0) Calculated Property
Tfus	342.44	K	Relay (1.0) Calculated Property
Vc	0.654	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[525.60; 581.22]	J/mol×K	[694.41; 867.67]
Cp,gas	525.60	J/mol×K	694.41	Joback Calculated Property
Cp,gas	536.33	J/mol×K	723.29	Joback Calculated Property
Cp,gas	546.46	J/mol×K	752.16	Joback Calculated Property
Cp,gas	555.99	J/mol×K	781.04	Joback Calculated Property
Cp,gas	564.94	J/mol×K	809.91	Joback Calculated Property
Cp,gas	573.35	J/mol×K	838.79	Joback Calculated Property
Cp,gas	581.22	J/mol×K	867.67	Joback Calculated Property

Similar Compounds

Find more compounds similar to L-Threonine, N-(trifluoroacetyl)-, butyl ester.

Sources

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

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