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

InChI

InChI=1S/C12H18F5NO3S/c1-3-4-6-21-9(19)8(5-7-22-2)18-10(20)11(13,14)12(15,16)17/h8H,3-7H2,1-2H3,(H,18,20)

InChI Key

UEAIDLXJMDBTQT-UHFFFAOYSA-N

Formula

C12H18F5NO3S

SMILES

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

Molecular Weight¹

351.33

• 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	0.6796		Relay (1.0) Calculated Property
ΔfG°	-1160.98	kJ/mol	Joback Calculated Property
ΔfH°gas	-1738.90	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	37.50	kJ/mol	Joback Calculated Property
ΔvapH°	75.44	kJ/mol	Relay (1.0) Calculated Property
IE	9.28	eV	Relay (1.0) Calculated Property
log10WS	-3.54		Relay (1.0) Calculated Property
logPoct/wat	2.765		Crippen Calculated Property
McVol	224.130	ml/mol	McGowan Calculated Property
Pc	1721.73	kPa	Joback Calculated Property
Inp	[1614.00; 1614.00]
Inp	1614.00		NIST
Inp	1614.00		NIST
Tboil	534.59	K	Relay (1.0) Calculated Property
Tc	680.64	K	Relay (1.0) Calculated Property
Tfus	307.42	K	Relay (1.0) Calculated Property
Vc	0.782	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[647.37; 711.06]	J/mol×K	[712.52; 893.87]
Cp,gas	647.37	J/mol×K	712.52	Joback Calculated Property
Cp,gas	659.89	J/mol×K	742.74	Joback Calculated Property
Cp,gas	671.60	J/mol×K	772.97	Joback Calculated Property
Cp,gas	682.54	J/mol×K	803.19	Joback Calculated Property
Cp,gas	692.74	J/mol×K	833.42	Joback Calculated Property
Cp,gas	702.23	J/mol×K	863.64	Joback Calculated Property
Cp,gas	711.06	J/mol×K	893.87	Joback Calculated Property

Similar Compounds

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

Sources

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

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