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

InChI

InChI=1S/C17H28F5NO3S/c1-3-4-5-6-7-8-9-11-26-14(24)13(10-12-27-2)23-15(25)16(18,19)17(20,21)22/h13H,3-12H2,1-2H3,(H,23,25)

InChI Key

XBLRLROWVPYLCX-UHFFFAOYSA-N

Formula

C17H28F5NO3S

SMILES

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

Molecular Weight¹

421.47

• 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°	-1118.88	kJ/mol	Joback Calculated Property
ΔfH°gas	-1659.58	kJ/mol	Joback Calculated Property
ΔfusH°	50.45	kJ/mol	Joback Calculated Property
ΔvapH°	75.53	kJ/mol	Joback Calculated Property
log10WS	-5.74		Crippen Calculated Property
logPoct/wat	4.716		Crippen Calculated Property
McVol	294.580	ml/mol	McGowan Calculated Property
Pc	1197.30	kPa	Joback Calculated Property
Inp	[2089.00; 2089.00]
Inp	2089.00		NIST
Inp	2089.00		NIST
Tboil	826.92	K	Joback Calculated Property
Tc	1014.99	K	Joback Calculated Property
Tfus	483.29	K	Joback Calculated Property
Vc	1.169	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[926.50; 1000.00]	J/mol×K	[826.92; 1014.99]
Cp,gas	926.50	J/mol×K	826.92	Joback Calculated Property
Cp,gas	940.98	J/mol×K	858.26	Joback Calculated Property
Cp,gas	954.50	J/mol×K	889.61	Joback Calculated Property
Cp,gas	967.12	J/mol×K	920.95	Joback Calculated Property
Cp,gas	978.87	J/mol×K	952.30	Joback Calculated Property
Cp,gas	989.81	J/mol×K	983.64	Joback Calculated Property
Cp,gas	1000.00	J/mol×K	1014.99	Joback Calculated Property

Similar Compounds

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

Sources

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

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