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

InChI

InChI=1S/C14H22F5NO3S/c1-9(2)5-4-7-23-11(21)10(6-8-24-3)20-12(22)13(15,16)14(17,18)19/h9-10H,4-8H2,1-3H3,(H,20,22)

InChI Key

ZGCRHFLMSIWKGO-UHFFFAOYSA-N

Formula

C14H22F5NO3S

SMILES

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

Molecular Weight¹

379.39

• 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).
• 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
ΔfG°	-1146.58	kJ/mol	Joback Calculated Property
ΔfH°gas	-1602.94	kJ/mol	Joback Calculated Property
ΔfusH°	39.16	kJ/mol	Joback Calculated Property
ΔvapH°	68.46	kJ/mol	Joback Calculated Property
log10WS	-4.24		Crippen Calculated Property
logPoct/wat	3.401		Crippen Calculated Property
McVol	252.310	ml/mol	McGowan Calculated Property
Pc	1486.14	kPa	Joback Calculated Property
Inp	[1750.00; 1750.00]
Inp	1750.00		NIST
Inp	1750.00		NIST
Tboil	757.84	K	Joback Calculated Property
Tc	941.71	K	Joback Calculated Property
Tfus	434.48	K	Joback Calculated Property
Vc	0.995	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[756.63; 824.88]	J/mol×K	[757.84; 941.71]
Cp,gas	756.63	J/mol×K	757.84	Joback Calculated Property
Cp,gas	770.08	J/mol×K	788.48	Joback Calculated Property
Cp,gas	782.65	J/mol×K	819.13	Joback Calculated Property
Cp,gas	794.37	J/mol×K	849.77	Joback Calculated Property
Cp,gas	805.29	J/mol×K	880.42	Joback Calculated Property
Cp,gas	815.45	J/mol×K	911.06	Joback Calculated Property
Cp,gas	824.88	J/mol×K	941.71	Joback Calculated Property

Similar Compounds

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

Sources

• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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