Chemical Properties of l-Methionine, N-(4-butylbenzoyl)-, methyl ester

InChI

InChI=1S/C17H25NO3S/c1-4-5-6-13-7-9-14(10-8-13)16(19)18-15(11-12-22-3)17(20)21-2/h7-10,15H,4-6,11-12H2,1-3H3,(H,18,19)

InChI Key

SJJIHHULPKXKSB-UHFFFAOYSA-N

Formula

C17H25NO3S

SMILES

CCCCc1ccc(C(=O)NC(CCSC)C(=O)OC)cc1

Molecular Weight¹

323.45

• 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	0.8009		Relay (1.0) Calculated Property
ΔfG°	-47.73	kJ/mol	Joback Calculated Property
ΔfH°gas	-567.49	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	43.53	kJ/mol	Joback Calculated Property
ΔvapH°	104.32	kJ/mol	Relay (1.0) Calculated Property
IE	8.32	eV	Relay (1.0) Calculated Property
log10WS	-4.04		Relay (1.0) Calculated Property
logPoct/wat	3.054		Crippen Calculated Property
McVol	261.970	ml/mol	McGowan Calculated Property
Pc	1755.07	kPa	Joback Calculated Property
Inp	[2707.00; 2707.00]
Inp	2707.00		NIST
Inp	2707.00		NIST
Tboil	651.72	K	Relay (1.0) Calculated Property
Tc	875.65	K	Relay (1.0) Calculated Property
Tfus	359.99	K	Relay (1.0) Calculated Property
Vc	0.906	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[790.43; 857.05]	J/mol×K	[868.69; 1087.32]
Cp,gas	790.43	J/mol×K	868.69	Joback Calculated Property
Cp,gas	804.45	J/mol×K	905.13	Joback Calculated Property
Cp,gas	817.26	J/mol×K	941.57	Joback Calculated Property
Cp,gas	828.90	J/mol×K	978.00	Joback Calculated Property
Cp,gas	839.39	J/mol×K	1014.44	Joback Calculated Property
Cp,gas	848.76	J/mol×K	1050.88	Joback Calculated Property
Cp,gas	857.05	J/mol×K	1087.32	Joback Calculated Property

Similar Compounds

Find more compounds similar to l-Methionine, N-(4-butylbenzoyl)-, methyl ester.

Sources

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

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