Chemical Properties of Glycine, n-(phenylacetyl)-, methyl ester (CAS 5259-87-0)

Glycine, n-(phenylacetyl)-, methyl ester

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InChI
InChI=1S/C11H13NO3/c1-15-11(14)8-12-10(13)7-9-5-3-2-4-6-9/h2-6H,7-8H2,1H3,(H,12,13)
InChI Key
VISLHUSQBAQEBB-UHFFFAOYSA-N
Formula
C11H13NO3
SMILES
COC(=O)CNC(=O)Cc1ccccc1
Molecular Weight1
207.23
CAS
5259-87-0
Other Names
  • Methyl N-(phenylacetyl)glycinate
  • N-Phenylacetylglycine methyl ester
  • Phenaceturic acid, methyl ester
  • Phenylacetylglycine, methyl ester
Sources

Physical Properties

Property Value Unit Source
Δf -119.30 kJ/mol Joback Calculated Property
Δfgas -337.75 kJ/mol Joback Calculated Property
Δfus 27.77 kJ/mol Joback Calculated Property
Δvap 64.69 kJ/mol Joback Calculated Property
logPoct/wat 0.52 Crippen Calculated Property
Pc 3015.64 kPa Joback Calculated Property
Tboil 658.09 K Joback Calculated Property
Tc 874.19 K Joback Calculated Property
Tfus 414.90 K Joback Calculated Property
Vc 0.61 m3/kg-mol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas 412.45 J/mol×K 658.09 Joback Calculated Property

Molecular Descriptors

Joback and Reid Groups
-O- (nonring) 1
>C=O (nonring) 2
=CH- (ring) 5
=C< (ring) 1
-CH2- 2
>NH 1
-CH3 1

Similar Compounds

P-Hydroxyphenylacetylglycine, methyl ester. Phenaceturic acid, trimethylsilyl ester. Morpholine, 4-(phenylacetyl)-. Benzeneacetamide, n-methyl-. Phenylacetamide, N-octadecyl-. Benzeneacetamide, N,N-dimethyl-. N-hydroxymethyl-2-phenylacetamide. Acetamide, n-tetrahydrofurfuryl-2-phenyl-. Phenaceturic acid, tert-butyldimethylsilyl ester. Benzeneacetamide, N-(aminocarbonyl)-. Phenylacetamide, n,n-dibutyl-. Acetamide, 2-phenyl-N-butyl-N-propyl-. Acetamide, 2-phenyl-N-butyl-N-ethyl-. Phenylacetamide, N-decyl-N-methyl-. Acetamide, 2-phenyl-N-butyl-N-pentyl-.

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