Chemical Properties of l-Methionine, n-heptafluorobutyryl-, hexyl ester

InChI

InChI=1S/C15H22F7NO3S/c1-3-4-5-6-8-26-11(24)10(7-9-27-2)23-12(25)13(16,17)14(18,19)15(20,21)22/h10H,3-9H2,1-2H3,(H,23,25)

InChI Key

SYZFLABRJFVDFZ-UHFFFAOYSA-N

Formula

C15H22F7NO3S

SMILES

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

Molecular Weight¹

429.39

• 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	0.7934		Relay (1.0) Calculated Property
ΔfG°	-1522.50	kJ/mol	Joback Calculated Property
ΔfH°gas	-2187.84	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	44.02	kJ/mol	Joback Calculated Property
ΔvapH°	84.92	kJ/mol	Relay (1.0) Calculated Property
IE	9.26	eV	Relay (1.0) Calculated Property
log10WS	-5.13		Relay (1.0) Calculated Property
logPoct/wat	4.181		Crippen Calculated Property
McVol	269.940	ml/mol	McGowan Calculated Property
Pc	1304.23	kPa	Joback Calculated Property
Inp	[1801.00; 1801.00]
Inp	1801.00		NIST
Inp	1801.00		NIST
Tboil	566.60	K	Relay (1.0) Calculated Property
Tc	705.36	K	Relay (1.0) Calculated Property
Tfus	308.44	K	Relay (1.0) Calculated Property
Vc	0.958	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[829.06; 895.46]	J/mol×K	[776.47; 956.96]
Cp,gas	829.06	J/mol×K	776.47	Joback Calculated Property
Cp,gas	842.13	J/mol×K	806.55	Joback Calculated Property
Cp,gas	854.33	J/mol×K	836.63	Joback Calculated Property
Cp,gas	865.70	J/mol×K	866.72	Joback Calculated Property
Cp,gas	876.32	J/mol×K	896.80	Joback Calculated Property
Cp,gas	886.22	J/mol×K	926.88	Joback Calculated Property
Cp,gas	895.46	J/mol×K	956.96	Joback Calculated Property

Similar Compounds

Find more compounds similar to l-Methionine, n-heptafluorobutyryl-, hexyl ester.

Sources

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

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