Chemical Properties of Malonamic acid, 2-ethyl-2-phenyl-, methyl ester (CAS 19846-01-6)

Malonamic acid, 2-ethyl-2-phenyl-, methyl ester

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InChI
InChI=1S/C12H15NO3/c1-3-12(10(13)14,11(15)16-2)9-7-5-4-6-8-9/h4-8H,3H2,1-2H3,(H2,13,14)
InChI Key
PPRJPTXCOUBNPG-UHFFFAOYSA-N
Formula
C12H15NO3
SMILES
CCC(C(=N)O)(C(=O)OC)c1ccccc1
Molecular Weight1
221.25
CAS
19846-01-6
Sources

Physical Properties

Property Value Unit Source
Δf -1.73 kJ/mol Joback Calculated Property
Δfgas -261.93 kJ/mol Joback Calculated Property
Δvap 81.20 kJ/mol Joback Calculated Property
logPoct/wat 2.04 Crippen Calculated Property
Tboil 750.22 K Joback Calculated Property
Tfus 455.60 K Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas 493.39 J/mol×K 750.22 Joback Calculated Property

Molecular Descriptors

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

Similar Compounds

Ethylphenylmalonic acid diethyl ester. Oxeladin. Cyclopentanecarboxylic acid, 1-phenyl-, 2-(diethylamino)ethyl ester. 1-Cyclopentanecarboxylate, 2-(diethylaminoethoxy)ethyl-1-phenyl-. Bornaprine. 4-Piperidinecarboxylic acid, 4-phenyl-, ethyl ester. Etoxeridine. Fenalamide. Properidine. Phenylethylmalonic acid, bis(trimethylsilyl) ester. Benzethidine. Phenoperidine. Butyric acid, 2-phenyl-, 8-chlorooctyl ester. Cyclopentolate. Ethoheptazine.

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