Chemical Properties of l-Tyrosine, N,O-bis(butyryl)-, methyl ester

InChI

InChI=1S/C18H25NO5/c1-4-6-16(20)19-15(18(22)23-3)12-13-8-10-14(11-9-13)24-17(21)7-5-2/h8-11,15H,4-7,12H2,1-3H3,(H,19,20)

InChI Key

ZZBJAIOUEAXYCC-UHFFFAOYSA-N

Formula

C18H25NO5

SMILES

CCCC(=O)NC(Cc1ccc(OC(=O)CCC)cc1)C(=O)OC

Molecular Weight¹

335.39

• 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).
• 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
ΔfG°	-306.35	kJ/mol	Joback Calculated Property
ΔfH°gas	-743.78	kJ/mol	Joback Calculated Property
ΔfusH°	44.78	kJ/mol	Joback Calculated Property
ΔvapH°	89.71	kJ/mol	Joback Calculated Property
log10WS	-3.88		Crippen Calculated Property
logPoct/wat	2.392		Crippen Calculated Property
McVol	267.150	ml/mol	McGowan Calculated Property
Pc	1660.55	kPa	Joback Calculated Property
Inp	[2378.00; 2378.00]
Inp	2378.00		NIST
Inp	2378.00		NIST
Tboil	899.08	K	Joback Calculated Property
Tc	1111.95	K	Joback Calculated Property
Tfus	563.47	K	Joback Calculated Property
Vc	1.018	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[833.70; 894.80]	J/mol×K	[899.08; 1111.95]
Cp,gas	833.70	J/mol×K	899.08	Joback Calculated Property
Cp,gas	846.82	J/mol×K	934.56	Joback Calculated Property
Cp,gas	858.74	J/mol×K	970.04	Joback Calculated Property
Cp,gas	869.48	J/mol×K	1005.51	Joback Calculated Property
Cp,gas	879.05	J/mol×K	1040.99	Joback Calculated Property
Cp,gas	887.49	J/mol×K	1076.47	Joback Calculated Property
Cp,gas	894.80	J/mol×K	1111.95	Joback Calculated Property

Similar Compounds

Find more compounds similar to l-Tyrosine, N,O-bis(butyryl)-, methyl ester.

Sources

• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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