Chemical Properties of serine, trifluoroacetyl-isopropyl ester

InChI

InChI=1S/C10H11F6NO5/c1-4(2)22-6(18)5(17-7(19)9(11,12)13)3-21-8(20)10(14,15)16/h4-5H,3H2,1-2H3,(H,17,19)

InChI Key

AAADJZHJPLWCSI-UHFFFAOYSA-N

Formula

C10H11F6NO5

SMILES

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

Molecular Weight¹

339.19

• 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	0.6243		Relay (1.0) Calculated Property
ΔfG°	-1642.11	kJ/mol	Joback Calculated Property
ΔfH°gas	-2184.02	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	30.53	kJ/mol	Joback Calculated Property
ΔvapH°	75.70	kJ/mol	Relay (1.0) Calculated Property
IE	10.37	eV	Relay (1.0) Calculated Property
log10WS	-2.80		Relay (1.0) Calculated Property
logPoct/wat	1.091		Crippen Calculated Property
McVol	188.810	ml/mol	McGowan Calculated Property
Pc	2018.13	kPa	Joback Calculated Property
Inp	[1175.00; 1175.00]
Inp	1175.00		NIST
Inp	1175.00		NIST
Tboil	466.59	K	Relay (1.0) Calculated Property
Tc	642.02	K	Relay (1.0) Calculated Property
Tfus	334.97	K	Relay (1.0) Calculated Property
Vc	0.706	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[539.87; 592.72]	J/mol×K	[673.10; 845.99]
Cp,gas	539.87	J/mol×K	673.10	Joback Calculated Property
Cp,gas	550.29	J/mol×K	701.91	Joback Calculated Property
Cp,gas	560.03	J/mol×K	730.73	Joback Calculated Property
Cp,gas	569.13	J/mol×K	759.54	Joback Calculated Property
Cp,gas	577.59	J/mol×K	788.36	Joback Calculated Property
Cp,gas	585.45	J/mol×K	817.17	Joback Calculated Property
Cp,gas	592.72	J/mol×K	845.99	Joback Calculated Property

Similar Compounds

Find more compounds similar to serine, trifluoroacetyl-isopropyl ester.

Sources

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

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