Chemical Properties of 1-(4-Carbomethoxyphenyl)-1,2-butanedione

1-(4-Carbomethoxyphenyl)-1,2-butanedione

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InChI
InChI=1S/C12H12O4/c1-3-10(13)11(14)8-4-6-9(7-5-8)12(15)16-2/h4-7H,3H2,1-2H3
InChI Key
GIGJHMZMJPJVOR-UHFFFAOYSA-N
Formula
C12H12O4
SMILES
CCC(=O)C(=O)c1ccc(C(=O)OC)cc1
Molecular Weight1
220.22
Other Names
  • 4 -methyl-«alpha»-pyrrolidinobutyrophenone-M (carboxy-desamino-oxo-) methyl
Sources

Physical Properties

Property Value Unit Source
Δf -338.82 kJ/mol Joback Calculated Property
Δfgas -535.91 kJ/mol Joback Calculated Property
Δfus 26.47 kJ/mol Joback Calculated Property
Δvap 67.89 kJ/mol Joback Calculated Property
logPoct/wat 1.64 Crippen Calculated Property
Pc 2823.32 kPa Joback Calculated Property
Tboil 689.65 K Joback Calculated Property
Tc 910.24 K Joback Calculated Property
Tfus 435.96 K Joback Calculated Property
Vc 0.64 m3/kg-mol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas 425.69 J/mol×K 689.65 Joback Calculated Property
η 0.00 Pa×s 689.65 Joback Calculated Property

Molecular Descriptors

Joback and Reid Groups
-O- (nonring) 1
>C=O (nonring) 3
=CH- (ring) 4
=C< (ring) 2
-CH2- 1
-CH3 2

Similar Compounds

4-(2-Oxo-propionyl)-benzoic acid ethyl ester. Benzoic acid, 4-butyl-, methyl ester. Benzoic acid, 4-acetyl-, methyl ester. 4-Butylbenzoic acid, ethyl ester. 4-Isobutylbenzoic acid, methyl. 4-Butylbenzoic acid, 3-chloroprop-2-enyl ester. 4-Butylbenzoic acid, 3-methylbut-2-enyl ester. 4-Butylbenzoic acid, 2,2,2-trichloroethyl ester. 4-Butylbenzoic acid, but-3-yn-2-yl ester. 4-Butylbenzoic acid, pent-2-en-4-ynyl ester. 4-Butylbenzoic acid, 3-methylbutyl ester. 4-Butylbenzoic acid. 4-Butylbenzoic acid, pentyl ester. Methyl ar-curcumen-15-oate. 1,2-Propanedione, 1-phenyl-.

Find more compounds similar to 1-(4-Carbomethoxyphenyl)-1,2-butanedione.

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