Chemical Properties of L-Methionine, N-chlorodifluoroacetyl-, ethyl ester

InChI

InChI=1S/C9H14ClF2NO3S/c1-3-16-7(14)6(4-5-17-2)13-8(15)9(10,11)12/h6H,3-5H2,1-2H3,(H,13,15)

InChI Key

OMNSGFAPMYNXHD-UHFFFAOYSA-N

Formula

C9H14ClF2NO3S

SMILES

CCOC(=O)C(CCSC)NC(=O)C(F)(F)Cl

Molecular Weight¹

289.73

• 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	0.5406		Relay (1.0) Calculated Property
ΔfG°	-616.58	kJ/mol	Joback Calculated Property
ΔfH°gas	-1069.16	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	32.10	kJ/mol	Joback Calculated Property
ΔvapH°	73.33	kJ/mol	Relay (1.0) Calculated Property
IE	9.32	eV	Relay (1.0) Calculated Property
log10WS	-2.13		Relay (1.0) Calculated Property
logPoct/wat	1.619		Crippen Calculated Property
McVol	188.790	ml/mol	McGowan Calculated Property
Pc	2395.87	kPa	Joback Calculated Property
Inp	[1182.00; 1182.00]
Inp	1182.00		NIST
Inp	1182.00		NIST
Tboil	538.50	K	Relay (1.0) Calculated Property
Tc	716.50	K	Relay (1.0) Calculated Property
Tfus	327.09	K	Relay (1.0) Calculated Property
Vc	0.649	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[490.28; 547.00]	J/mol×K	[686.73; 887.58]
Cp,gas	490.28	J/mol×K	686.73	Joback Calculated Property
Cp,gas	501.58	J/mol×K	720.21	Joback Calculated Property
Cp,gas	512.12	J/mol×K	753.68	Joback Calculated Property
Cp,gas	521.91	J/mol×K	787.16	Joback Calculated Property
Cp,gas	530.97	J/mol×K	820.63	Joback Calculated Property
Cp,gas	539.33	J/mol×K	854.11	Joback Calculated Property
Cp,gas	547.00	J/mol×K	887.58	Joback Calculated Property

Similar Compounds

Find more compounds similar to L-Methionine, N-chlorodifluoroacetyl-, ethyl ester.

Sources

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

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