Chemical Properties of Phenylethyl acetoacetate (CAS 24370-84-1)

Phenylethyl acetoacetate

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InChI
InChI=1S/C12H14O3/c1-10(13)9-12(14)15-8-7-11-5-3-2-4-6-11/h2-6H,7-9H2,1H3
InChI Key
QOMFXOOKFCCSND-UHFFFAOYSA-N
Formula
C12H14O3
SMILES
CC(=O)CC(=O)OCCc1ccccc1
Molecular Weight1
206.24
CAS
24370-84-1
Sources

Physical Properties

Property Value Unit Source
Δf -200.27 kJ/mol Joback Calculated Property
Δfgas -411.86 kJ/mol Joback Calculated Property
Δfus 25.26 kJ/mol Joback Calculated Property
Δvap 60.48 kJ/mol Joback Calculated Property
logPoct/wat 1.75 Crippen Calculated Property
Pc 2684.64 kPa Joback Calculated Property
Tboil 630.80 K Joback Calculated Property
Tc 844.08 K Joback Calculated Property
Tfus 373.51 K Joback Calculated Property
Vc 0.63 m3/kg-mol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas 412.34 J/mol×K 630.8 Joback Calculated Property
η 0.00 Pa×s 630.8 Joback Calculated Property

Molecular Descriptors

Joback and Reid Groups
-O- (nonring) 1
>C=O (nonring) 2
=CH- (ring) 5
=C< (ring) 1
-CH2- 3
-CH3 1

Similar Compounds

2-Phenylethyl butyrate. Valeric acid, 2-phenylethyl ester. Butanoic acid, 3-methyl-, 2-phenylethyl ester. Glutaric acid, butyl phenethyl ester. Glutaric acid, phenethyl propyl ester. Propanoic acid, 2-phenylethyl ester. Hexanoic acid, 2-phenylethyl ester. Glutaric acid, pentyl phenethyl ester. Glutaric acid, ethyl phenethyl ester. Glutaric acid, di(phenethyl) ester. 2-phenylethyl levulinate. Butanoic acid, 2-methyl-, 2-phenylethyl ester. Pimelic acid, butyl phenethyl ester. Pimelic acid, phenethyl propyl ester. Pimelic acid, heptyl phenethyl ester.

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