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

InChI

InChI=1S/C14H22F5NO3S/c1-9(2)5-4-7-23-11(21)10(6-8-24-3)20-12(22)13(15,16)14(17,18)19/h9-10H,4-8H2,1-3H3,(H,20,22)

InChI Key

ZGCRHFLMSIWKGO-UHFFFAOYSA-N

Formula

C14H22F5NO3S

SMILES

CSCCC(NC(=O)C(F)(F)C(F)(F)F)C(=O)OCCCC(C)C

Molecular Weight¹

379.39

• 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	0.7257		Relay (1.0) Calculated Property
ΔfG°	-1146.58	kJ/mol	Joback Calculated Property
ΔfH°gas	-1799.30	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	39.16	kJ/mol	Joback Calculated Property
ΔvapH°	80.03	kJ/mol	Relay (1.0) Calculated Property
IE	9.25	eV	Relay (1.0) Calculated Property
log10WS	-4.26		Relay (1.0) Calculated Property
logPoct/wat	3.401		Crippen Calculated Property
McVol	252.310	ml/mol	McGowan Calculated Property
Pc	1486.14	kPa	Joback Calculated Property
Inp	[1750.00; 1750.00]
Inp	1750.00		NIST
Inp	1750.00		NIST
Tboil	555.00	K	Relay (1.0) Calculated Property
Tc	703.24	K	Relay (1.0) Calculated Property
Tfus	322.96	K	Relay (1.0) Calculated Property
Vc	0.881	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[756.63; 824.88]	J/mol×K	[757.84; 941.71]
Cp,gas	756.63	J/mol×K	757.84	Joback Calculated Property
Cp,gas	770.08	J/mol×K	788.48	Joback Calculated Property
Cp,gas	782.65	J/mol×K	819.13	Joback Calculated Property
Cp,gas	794.37	J/mol×K	849.77	Joback Calculated Property
Cp,gas	805.29	J/mol×K	880.42	Joback Calculated Property
Cp,gas	815.45	J/mol×K	911.06	Joback Calculated Property
Cp,gas	824.88	J/mol×K	941.71	Joback Calculated Property

Similar Compounds

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