Chemical Properties of l-Methionine, n-pentafluoropropionyl-, ethyl ester

InChI

InChI=1S/C10H14F5NO3S/c1-3-19-7(17)6(4-5-20-2)16-8(18)9(11,12)10(13,14)15/h6H,3-5H2,1-2H3,(H,16,18)

InChI Key

BTWCDYIZXWZLDF-UHFFFAOYSA-N

Formula

C10H14F5NO3S

SMILES

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

Molecular Weight¹

323.28

• 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	0.5953		Relay (1.0) Calculated Property
ΔfG°	-1177.82	kJ/mol	Joback Calculated Property
ΔfH°gas	-1693.75	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	32.32	kJ/mol	Joback Calculated Property
ΔvapH°	73.28	kJ/mol	Relay (1.0) Calculated Property
IE	9.38	eV	Relay (1.0) Calculated Property
log10WS	-2.84		Relay (1.0) Calculated Property
logPoct/wat	1.985		Crippen Calculated Property
McVol	195.950	ml/mol	McGowan Calculated Property
Pc	2032.72	kPa	Joback Calculated Property
Inp	[1448.00; 1448.00]
Inp	1448.00		NIST
Inp	1448.00		NIST
Tboil	511.40	K	Relay (1.0) Calculated Property
Tc	661.73	K	Relay (1.0) Calculated Property
Tfus	316.45	K	Relay (1.0) Calculated Property
Vc	0.678	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[543.24; 602.16]	J/mol×K	[666.76; 849.28]
Cp,gas	543.24	J/mol×K	666.76	Joback Calculated Property
Cp,gas	554.86	J/mol×K	697.18	Joback Calculated Property
Cp,gas	565.73	J/mol×K	727.60	Joback Calculated Property
Cp,gas	575.85	J/mol×K	758.02	Joback Calculated Property
Cp,gas	585.28	J/mol×K	788.44	Joback Calculated Property
Cp,gas	594.04	J/mol×K	818.86	Joback Calculated Property
Cp,gas	602.16	J/mol×K	849.28	Joback Calculated Property

Similar Compounds

Find more compounds similar to l-Methionine, n-pentafluoropropionyl-, ethyl ester.

Sources

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

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