Chemical Properties of Threonine-Serine, N(«alpha»,«epsilon»)-trifluoroacetyl-N-O-permethyl derivative

InChI

InChI=1S/C14H23F3N2O6/c1-8(24-5)10(19(3)13(22)14(15,16)17)11(20)18(2)9(7-23-4)12(21)25-6/h8-10H,7H2,1-6H3

InChI Key

NHBCWZCXGIHONC-UHFFFAOYSA-N

Formula

C14H23F3N2O6

SMILES

COCC(C(=O)OC)N(C)C(=O)C(C(C)OC)N(C)C(=O)C(F)(F)F

Molecular Weight¹

372.34

• 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°	-1002.11	kJ/mol	Joback Calculated Property
ΔfH°gas	-1544.55	kJ/mol	Joback Calculated Property
ΔfusH°	37.68	kJ/mol	Joback Calculated Property
ΔvapH°	73.40	kJ/mol	Joback Calculated Property
log10WS	-0.41		Crippen Calculated Property
logPoct/wat	0.057		Crippen Calculated Property
McVol	255.710	ml/mol	McGowan Calculated Property
Pc	1574.70	kPa	Joback Calculated Property
Inp	[1772.00; 1813.00]
Inp	1772.00		NIST
Inp	1813.00		NIST
Inp	1772.00		NIST
Tboil	766.73	K	Joback Calculated Property
Tc	948.44	K	Joback Calculated Property
Tfus	488.15	K	Joback Calculated Property
Vc	0.953	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[780.05; 850.18]	J/mol×K	[766.73; 948.44]
Cp,gas	780.05	J/mol×K	766.73	Joback Calculated Property
Cp,gas	793.97	J/mol×K	797.01	Joback Calculated Property
Cp,gas	806.98	J/mol×K	827.30	Joback Calculated Property
Cp,gas	819.08	J/mol×K	857.58	Joback Calculated Property
Cp,gas	830.30	J/mol×K	887.87	Joback Calculated Property
Cp,gas	840.66	J/mol×K	918.15	Joback Calculated Property
Cp,gas	850.18	J/mol×K	948.44	Joback Calculated Property

Similar Compounds

Find more compounds similar to Threonine-Serine, N(«alpha»,«epsilon»)-trifluoroacetyl-N-O-permethyl derivative.

Sources

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

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