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

InChI

InChI=1S/C19H30F7NO3S/c1-3-4-5-6-7-8-9-10-12-30-15(28)14(11-13-31-2)27-16(29)17(20,21)18(22,23)19(24,25)26/h14H,3-13H2,1-2H3,(H,27,29)

InChI Key

HKVIGMQBIBQLFG-UHFFFAOYSA-N

Formula

C19H30F7NO3S

SMILES

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

Molecular Weight¹

485.50

• 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	0.9439		Relay (1.0) Calculated Property
ΔfG°	-1488.82	kJ/mol	Joback Calculated Property
ΔfH°gas	-2266.16	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	54.38	kJ/mol	Joback Calculated Property
ΔvapH°	100.25	kJ/mol	Relay (1.0) Calculated Property
IE	9.27	eV	Relay (1.0) Calculated Property
log10WS	-6.44		Relay (1.0) Calculated Property
logPoct/wat	5.741		Crippen Calculated Property
McVol	326.300	ml/mol	McGowan Calculated Property
Pc	1005.89	kPa	Joback Calculated Property
Inp	[2181.00; 2181.00]
Inp	2181.00		NIST
Inp	2181.00		NIST
Tboil	609.26	K	Relay (1.0) Calculated Property
Tc	744.17	K	Relay (1.0) Calculated Property
Tfus	324.00	K	Relay (1.0) Calculated Property
Vc	1.173	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[1059.55; 1135.09]	J/mol×K	[867.99; 1062.67]
Cp,gas	1059.55	J/mol×K	867.99	Joback Calculated Property
Cp,gas	1074.40	J/mol×K	900.44	Joback Calculated Property
Cp,gas	1088.24	J/mol×K	932.88	Joback Calculated Property
Cp,gas	1101.15	J/mol×K	965.33	Joback Calculated Property
Cp,gas	1113.21	J/mol×K	997.78	Joback Calculated Property
Cp,gas	1124.50	J/mol×K	1030.22	Joback Calculated Property
Cp,gas	1135.09	J/mol×K	1062.67	Joback Calculated Property

Similar Compounds

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

Sources

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

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