Chemical Properties of 2-Phenylacetylamino-pentanedioic acid dimethyl ester

InChI

InChI=1S/C15H17NO5/c1-20-14(18)9-8-12(15(19)21-2)16-13(17)10-11-6-4-3-5-7-11/h3-8H,9-10H2,1-2H3,(H,16,17)/b12-8-

InChI Key

QUAHCOYCPGQAMQ-WQLSENKSSA-N

Formula

C15H17NO5

SMILES

COC(=O)CC=C(N=C(O)Cc1ccccc1)C(=O)OC

Molecular Weight¹

291.30

• Δ_fH°_gas : Enthalpy of formation 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).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ΔfH°gas	-578.37	kJ/mol	Joback Calculated Property
ΔvapH°	89.68	kJ/mol	Joback Calculated Property
log10WS	-2.26		Crippen Calculated Property
logPoct/wat	1.806		Crippen Calculated Property
McVol	220.580	ml/mol	McGowan Calculated Property
Pc	2092.66	kPa	Joback Calculated Property
Inp	[2110.00; 2110.00]
Inp	2110.00		NIST
Inp	2110.00		NIST
Tboil	894.64	K	Joback Calculated Property
Tc	1113.54	K	Joback Calculated Property

Similar Compounds

Find more compounds similar to 2-Phenylacetylamino-pentanedioic acid dimethyl ester.

Sources

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

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