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

• ω : Acentric Factor.
• 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).
• IE : Ionization energy (eV).
• 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
ω	0.8691		Relay (1.0) Calculated Property
ΔfG°	-1118.88	kJ/mol	Joback Calculated Property
ΔfH°gas	-1837.99	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	50.45	kJ/mol	Joback Calculated Property
ΔvapH°	93.02	kJ/mol	Relay (1.0) Calculated Property
IE	9.20	eV	Relay (1.0) Calculated Property
log10WS	-5.41		Relay (1.0) 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	589.97	K	Relay (1.0) Calculated Property
Tc	736.64	K	Relay (1.0) Calculated Property
Tfus	331.54	K	Relay (1.0) Calculated Property
Vc	1.052	m3/kmol	Relay (1.0) 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

• Cheméo Relay (1.0)
• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

Note: Cheméo is only indexing the data, follow the source links to retrieve the latest data. The source is also providing more information like the publication year, authors and more. Take the time to validate and double check the source of the data.