Chemical Properties of L-Tyrosine, N,O-bis(pivaloyl)-, methyl ester

InChI

InChI=1S/C20H29NO5/c1-19(2,3)17(23)21-15(16(22)25-7)12-13-8-10-14(11-9-13)26-18(24)20(4,5)6/h8-11,15H,12H2,1-7H3,(H,21,23)

InChI Key

BLWCXJZLBUEQQH-UHFFFAOYSA-N

Formula

C20H29NO5

SMILES

COC(=O)C(Cc1ccc(OC(=O)C(C)(C)C)cc1)N=C(O)C(C)(C)C

Molecular Weight¹

363.45

• ω : Acentric Factor.
• Δ_fG° : Standard Gibbs free energy of formation (kJ/mol).
• Δ_fH°_gas : Enthalpy of formation 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	0.9355		Relay (... Calculated Property
ΔfG°	-300.17	kJ/mol	Relay (... Calculated Property ⚠️
ΔfH°gas	-969.45	kJ/mol	Relay (... Calculated Property
ΔvapH°	109.92	kJ/mol	Relay (... Calculated Property
IE	8.29	eV	Relay (... Calculated Property
log10WS	-3.92		Relay (... Calculated Property
logPoct/wat	3.725		Crippen Calculated Property
McVol	295.330	ml/mol	McGowan Calculated Property
Pc	1379.91	kPa	Joback Calculated Property
Inp	[2280.00; 2280.00]
Inp	2280.00		NIST
Inp	2280.00		NIST
Tboil	620.16	K	Relay (... Calculated Property
Tc	860.63	K	Relay (... Calculated Property
Tfus	360.92	K	Relay (... Calculated Property
Vc	1.084	m3/kmol	Relay (... Calculated Property

Similar Compounds

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

Sources

• Cheméo Relay (1.0)
• Cheméo Relay (1.0, beta) ⚠️ Beta: served but experimental, data-limited and below our cross-validation release bar; the Joback value is recommended where available.
• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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