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

InChI

InChI=1S/C18H28F7NO3S/c1-3-4-5-6-7-8-9-11-29-14(27)13(10-12-30-2)26-15(28)16(19,20)17(21,22)18(23,24)25/h13H,3-12H2,1-2H3,(H,26,28)

InChI Key

CHOCDBCSBUQJFU-UHFFFAOYSA-N

Formula

C18H28F7NO3S

SMILES

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

Molecular Weight¹

471.47

• 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°	-1497.24	kJ/mol	Joback Calculated Property
ΔfH°gas	-2081.19	kJ/mol	Joback Calculated Property
ΔfusH°	51.79	kJ/mol	Joback Calculated Property
ΔvapH°	74.82	kJ/mol	Joback Calculated Property
log10WS	-6.47		Crippen Calculated Property
logPoct/wat	5.351		Crippen Calculated Property
McVol	312.210	ml/mol	McGowan Calculated Property
Pc	1070.06	kPa	Joback Calculated Property
Inp	[2099.00; 2099.00]
Inp	2099.00		NIST
Inp	2099.00		NIST
Tboil	845.11	K	Joback Calculated Property
Tc	1035.01	K	Joback Calculated Property
Tfus	498.16	K	Joback Calculated Property
Vc	1.250	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[1000.73; 1073.77]	J/mol×K	[845.11; 1035.01]
Cp,gas	1000.73	J/mol×K	845.11	Joback Calculated Property
Cp,gas	1015.09	J/mol×K	876.76	Joback Calculated Property
Cp,gas	1028.48	J/mol×K	908.41	Joback Calculated Property
Cp,gas	1040.97	J/mol×K	940.06	Joback Calculated Property
Cp,gas	1052.64	J/mol×K	971.71	Joback Calculated Property
Cp,gas	1063.55	J/mol×K	1003.36	Joback Calculated Property
Cp,gas	1073.77	J/mol×K	1035.01	Joback Calculated Property

Similar Compounds

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

Sources

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

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