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

InChI

InChI=1S/C21H34F7NO3S/c1-3-4-5-6-7-8-9-10-11-12-14-32-17(30)16(13-15-33-2)29-18(31)19(22,23)20(24,25)21(26,27)28/h16H,3-15H2,1-2H3,(H,29,31)

InChI Key

NVUPBDDUMSGWCO-UHFFFAOYSA-N

Formula

C21H34F7NO3S

SMILES

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

Molecular Weight¹

513.55

• 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	1.0183		Relay (... Calculated Property
ΔfG°	-1471.98	kJ/mol	Joback Calculated Property
ΔfH°gas	-2305.25	kJ/mol	Relay (... Calculated Property
ΔfusH°	59.56	kJ/mol	Joback Calculated Property
ΔvapH°	108.41	kJ/mol	Relay (... Calculated Property
IE	9.31	eV	Relay (... Calculated Property
log10WS	-7.02		Relay (... Calculated Property
logPoct/wat	6.521		Crippen Calculated Property
McVol	354.480	ml/mol	McGowan Calculated Property
Pc	893.73	kPa	Joback Calculated Property
Inp	[2375.00; 2375.00]
Inp	2375.00		NIST
Inp	2375.00		NIST
Tboil	627.94	K	Relay (... Calculated Property
Tc	762.29	K	Relay (... Calculated Property
Tfus	331.70	K	Relay (... Calculated Property
Vc	1.280	m3/kmol	Relay (... Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[1179.31; 1260.55]	J/mol×K	[913.75; 1120.86]
Cp,gas	1179.31	J/mol×K	913.75	Joback Calculated Property
Cp,gas	1195.29	J/mol×K	948.27	Joback Calculated Property
Cp,gas	1210.16	J/mol×K	982.79	Joback Calculated Property
Cp,gas	1224.02	J/mol×K	1017.31	Joback Calculated Property
Cp,gas	1236.97	J/mol×K	1051.82	Joback Calculated Property
Cp,gas	1249.12	J/mol×K	1086.34	Joback Calculated Property
Cp,gas	1260.55	J/mol×K	1120.86	Joback Calculated Property

Similar Compounds

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

Sources

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

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