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

InChI

InChI=1S/C15H24F5NO3S/c1-3-4-5-6-7-9-24-12(22)11(8-10-25-2)21-13(23)14(16,17)15(18,19)20/h11H,3-10H2,1-2H3,(H,21,23)

InChI Key

KLWDJOCSFZRADF-UHFFFAOYSA-N

Formula

C15H24F5NO3S

SMILES

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

Molecular Weight¹

393.41

• 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°	-1135.72	kJ/mol	Joback Calculated Property
ΔfH°gas	-1618.30	kJ/mol	Joback Calculated Property
ΔfusH°	45.27	kJ/mol	Joback Calculated Property
ΔvapH°	71.07	kJ/mol	Joback Calculated Property
log10WS	-4.90		Crippen Calculated Property
logPoct/wat	3.935		Crippen Calculated Property
McVol	266.400	ml/mol	McGowan Calculated Property
Pc	1373.78	kPa	Joback Calculated Property
Inp	[1897.00; 1897.00]
Inp	1897.00		NIST
Inp	1897.00		NIST
Tboil	781.16	K	Joback Calculated Property
Tc	964.61	K	Joback Calculated Property
Tfus	460.75	K	Joback Calculated Property
Vc	1.056	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[811.98; 881.68]	J/mol×K	[781.16; 964.61]
Cp,gas	811.98	J/mol×K	781.16	Joback Calculated Property
Cp,gas	825.68	J/mol×K	811.74	Joback Calculated Property
Cp,gas	838.48	J/mol×K	842.31	Joback Calculated Property
Cp,gas	850.45	J/mol×K	872.89	Joback Calculated Property
Cp,gas	861.60	J/mol×K	903.46	Joback Calculated Property
Cp,gas	872.00	J/mol×K	934.04	Joback Calculated Property
Cp,gas	881.68	J/mol×K	964.61	Joback Calculated Property

Similar Compounds

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

Sources

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

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