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

InChI

InChI=1S/C14H20F7NO3S/c1-3-4-5-7-25-10(23)9(6-8-26-2)22-11(24)12(15,16)13(17,18)14(19,20)21/h9H,3-8H2,1-2H3,(H,22,24)

InChI Key

SIRQYVCEKSOANO-UHFFFAOYSA-N

Formula

C14H20F7NO3S

SMILES

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

Molecular Weight¹

415.37

• 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°	-1530.92	kJ/mol	Joback Calculated Property
ΔfH°gas	-1998.63	kJ/mol	Joback Calculated Property
ΔfusH°	41.43	kJ/mol	Joback Calculated Property
ΔvapH°	65.92	kJ/mol	Joback Calculated Property
log10WS	-4.80		Crippen Calculated Property
logPoct/wat	3.791		Crippen Calculated Property
McVol	255.850	ml/mol	McGowan Calculated Property
Pc	1399.59	kPa	Joback Calculated Property
Inp	[1719.00; 1719.00]
Inp	1719.00		NIST
Inp	1719.00		NIST
Tboil	753.59	K	Joback Calculated Property
Tc	932.37	K	Joback Calculated Property
Tfus	453.08	K	Joback Calculated Property
Vc	1.026	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[773.62; 837.93]	J/mol×K	[753.59; 932.37]
Cp,gas	773.62	J/mol×K	753.59	Joback Calculated Property
Cp,gas	786.29	J/mol×K	783.39	Joback Calculated Property
Cp,gas	798.12	J/mol×K	813.18	Joback Calculated Property
Cp,gas	809.15	J/mol×K	842.98	Joback Calculated Property
Cp,gas	819.42	J/mol×K	872.78	Joback Calculated Property
Cp,gas	829.00	J/mol×K	902.58	Joback Calculated Property
Cp,gas	837.93	J/mol×K	932.37	Joback Calculated Property

Similar Compounds

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

Sources

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

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