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

InChI

InChI=1S/C11H16F5NO3S/c1-3-5-20-8(18)7(4-6-21-2)17-9(19)10(12,13)11(14,15)16/h7H,3-6H2,1-2H3,(H,17,19)

InChI Key

IZMMKWNAFXBTHN-UHFFFAOYSA-N

Formula

C11H16F5NO3S

SMILES

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

Molecular Weight¹

337.31

• 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	0.6403		Relay (1.0) Calculated Property
ΔfG°	-1169.40	kJ/mol	Joback Calculated Property
ΔfH°gas	-1717.07	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	34.91	kJ/mol	Joback Calculated Property
ΔvapH°	71.52	kJ/mol	Relay (1.0) Calculated Property
IE	9.34	eV	Relay (1.0) Calculated Property
log10WS	-3.18		Relay (1.0) Calculated Property
logPoct/wat	2.375		Crippen Calculated Property
McVol	210.040	ml/mol	McGowan Calculated Property
Pc	1867.55	kPa	Joback Calculated Property
Inp	[1536.00; 1536.00]
Inp	1536.00		NIST
Inp	1536.00		NIST
Tboil	524.17	K	Relay (1.0) Calculated Property
Tc	668.13	K	Relay (1.0) Calculated Property
Tfus	311.44	K	Relay (1.0) Calculated Property
Vc	0.730	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[594.69; 656.11]	J/mol×K	[689.64; 871.35]
Cp,gas	594.69	J/mol×K	689.64	Joback Calculated Property
Cp,gas	606.78	J/mol×K	719.92	Joback Calculated Property
Cp,gas	618.09	J/mol×K	750.21	Joback Calculated Property
Cp,gas	628.64	J/mol×K	780.49	Joback Calculated Property
Cp,gas	638.47	J/mol×K	810.78	Joback Calculated Property
Cp,gas	647.62	J/mol×K	841.06	Joback Calculated Property
Cp,gas	656.11	J/mol×K	871.35	Joback Calculated Property

Similar Compounds

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

Sources

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

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