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

InChI

InChI=1S/C13H18F7NO3S/c1-7(2)6-24-9(22)8(4-5-25-3)21-10(23)11(14,15)12(16,17)13(18,19)20/h7-8H,4-6H2,1-3H3,(H,21,23)

InChI Key

YOFLPQABMWTVEW-UHFFFAOYSA-N

Formula

C13H18F7NO3S

SMILES

CSCCC(NC(=O)C(F)(F)C(F)(F)C(F)(F)F)C(=O)OCC(C)C

Molecular Weight¹

401.34

• 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	0.6965		Relay (... Calculated Property
ΔfG°	-1541.78	kJ/mol	Joback Calculated Property
ΔfH°gas	-2168.95	kJ/mol	Relay (... Calculated Property
ΔfusH°	35.31	kJ/mol	Joback Calculated Property
ΔvapH°	77.06	kJ/mol	Relay (... Calculated Property
IE	9.40	eV	Relay (... Calculated Property
log10WS	-4.33		Relay (... Calculated Property
logPoct/wat	3.256		Crippen Calculated Property
McVol	241.760	ml/mol	McGowan Calculated Property
Pc	1515.21	kPa	Joback Calculated Property
Inp	[1588.00; 1588.00]
Inp	1588.00		NIST
Inp	1588.00		NIST
Tboil	539.92	K	Relay (... Calculated Property
Tc	680.80	K	Relay (... Calculated Property
Tfus	312.26	K	Relay (... Calculated Property
Vc	0.854	m3/kmol	Relay (... Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[719.72; 782.43]	J/mol×K	[730.27; 909.75]
Cp,gas	719.72	J/mol×K	730.27	Joback Calculated Property
Cp,gas	732.15	J/mol×K	760.18	Joback Calculated Property
Cp,gas	743.72	J/mol×K	790.10	Joback Calculated Property
Cp,gas	754.49	J/mol×K	820.01	Joback Calculated Property
Cp,gas	764.49	J/mol×K	849.92	Joback Calculated Property
Cp,gas	773.79	J/mol×K	879.84	Joback Calculated Property
Cp,gas	782.43	J/mol×K	909.75	Joback Calculated Property

Similar Compounds

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

Sources

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

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