Chemical Properties of methionine, trifluoroacetyl-isopropyl ester

InChI

InChI=1S/C10H16F3NO3S/c1-6(2)17-8(15)7(4-5-18-3)14-9(16)10(11,12)13/h6-7H,4-5H2,1-3H3,(H,14,16)

InChI Key

VYXDFEHRYSPREV-UHFFFAOYSA-N

Formula

C10H16F3NO3S

SMILES

CSCCC(NC(=O)C(F)(F)F)C(=O)OC(C)C

Molecular Weight¹

287.30

• 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	0.5623		Relay (1.0) Calculated Property
ΔfG°	-793.48	kJ/mol	Joback Calculated Property
ΔfH°gas	-1291.28	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	30.05	kJ/mol	Joback Calculated Property
ΔvapH°	70.55	kJ/mol	Relay (1.0) Calculated Property
IE	9.28	eV	Relay (1.0) Calculated Property
log10WS	-1.59		Relay (1.0) Calculated Property
logPoct/wat	1.738		Crippen Calculated Property
McVol	192.410	ml/mol	McGowan Calculated Property
Pc	2185.64	kPa	Joback Calculated Property
Inp	[1465.00; 1465.00]
Inp	1465.00		NIST
Inp	1465.00		NIST
Tboil	512.47	K	Relay (1.0) Calculated Property
Tc	677.75	K	Relay (1.0) Calculated Property
Tfus	336.40	K	Relay (1.0) Calculated Property
Vc	0.670	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[524.66; 588.35]	J/mol×K	[671.01; 861.79]
Cp,gas	524.66	J/mol×K	671.01	Joback Calculated Property
Cp,gas	537.16	J/mol×K	702.81	Joback Calculated Property
Cp,gas	548.87	J/mol×K	734.60	Joback Calculated Property
Cp,gas	559.83	J/mol×K	766.40	Joback Calculated Property
Cp,gas	570.05	J/mol×K	798.20	Joback Calculated Property
Cp,gas	579.55	J/mol×K	829.99	Joback Calculated Property
Cp,gas	588.35	J/mol×K	861.79	Joback Calculated Property

Similar Compounds

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

Sources

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

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