Chemical Properties of l-Methionine, N-pivaloyl-, methyl ester

InChI

InChI=1S/C11H21NO3S/c1-11(2,3)10(14)12-8(6-7-16-5)9(13)15-4/h8H,6-7H2,1-5H3,(H,12,14)

InChI Key

UKXONFCTNLUFPB-UHFFFAOYSA-N

Formula

C11H21NO3S

SMILES

COC(=O)C(CCSC)NC(=O)C(C)(C)C

Molecular Weight¹

247.35

• 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	0.5810		Relay (... Calculated Property
ΔfG°	-198.19	kJ/mol	Joback Calculated Property
ΔfH°gas	-682.08	kJ/mol	Relay (... Calculated Property
ΔfusH°	26.92	kJ/mol	Joback Calculated Property
ΔvapH°	78.52	kJ/mol	Relay (... Calculated Property
IE	8.43	eV	Relay (... Calculated Property
log10WS	-1.65		Relay (... Calculated Property
logPoct/wat	1.443		Crippen Calculated Property
McVol	201.190	ml/mol	McGowan Calculated Property
Pc	2250.40	kPa	Joback Calculated Property
Inp	[1656.00; 1656.00]
Inp	1656.00		NIST
Inp	1656.00		NIST
Tboil	548.54	K	Relay (... Calculated Property
Tc	748.35	K	Relay (... Calculated Property
Tfus	332.64	K	Relay (... Calculated Property
Vc	0.703	m3/kmol	Relay (... Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[552.22; 625.43]	J/mol×K	[696.52; 904.85]
Cp,gas	552.22	J/mol×K	696.52	Joback Calculated Property
Cp,gas	566.68	J/mol×K	731.24	Joback Calculated Property
Cp,gas	580.20	J/mol×K	765.96	Joback Calculated Property
Cp,gas	592.80	J/mol×K	800.69	Joback Calculated Property
Cp,gas	604.53	J/mol×K	835.41	Joback Calculated Property
Cp,gas	615.39	J/mol×K	870.13	Joback Calculated Property
Cp,gas	625.43	J/mol×K	904.85	Joback Calculated Property

Similar Compounds

Find more compounds similar to l-Methionine, N-pivaloyl-, methyl ester.

Sources

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

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