Chemical Properties of Cyclohexanehexanoic acid, e,2-dioxo-, methyl ester

Cyclohexanehexanoic acid, e,2-dioxo-, methyl ester

InChI
InChI=1S/C13H20O4/c1-17-13(16)9-5-4-8-12(15)10-6-2-3-7-11(10)14/h14H,2-9H2,1H3
InChI Key
INHIKRKQOXBJOM-UHFFFAOYSA-N
Formula
C13H20O4
SMILES
COC(=O)CCCCC(=O)C1=C(O)CCCC1
Molecular Weight1
240.30
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Physical Properties

Property Value Unit Source
ΔfH°gas -787.77 kJ/mol Relay (1.0) Calculated Property
ΔfusH° 30.69 kJ/mol Joback Calculated Property
ΔvapH° 94.94 kJ/mol Relay (1.0) Calculated Property
IE 8.54 eV Relay (1.0) Calculated Property
log10WS -2.09 Relay (1.0) Calculated Property
logPoct/wat 2.675 Crippen Calculated Property
McVol 193.750 ml/mol McGowan Calculated Property
Pc 2351.92 kPa Joback Calculated Property
Tboil 589.54 K Relay (1.0) Calculated Property
Tc 822.79 K Relay (1.0) Calculated Property
Tfus 338.39 K Relay (1.0) Calculated Property

Cheméo can also estimate Critical Volume, Standard Gibbs free energy of formation, Acentric Factor for this compound, but they fall outside the models' validated range, so they are not shown here. Open the prediction tool to compute them on demand.

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas [561.80; 629.60] J/mol×K [734.65; 930.04] Show Hide
Cp,gas 561.80 J/mol×K 734.65 Joback Calculated Property
Cp,gas 575.21 J/mol×K 767.22 Joback Calculated Property
Cp,gas 587.75 J/mol×K 799.78 Joback Calculated Property
Cp,gas 599.44 J/mol×K 832.35 Joback Calculated Property
Cp,gas 610.30 J/mol×K 864.91 Joback Calculated Property
Cp,gas 620.35 J/mol×K 897.48 Joback Calculated Property
Cp,gas 629.60 J/mol×K 930.04 Joback Calculated Property
η [0.0000291; 0.0015740] Pa×s [426.77; 734.65] Show Hide
η 0.0015740 Pa×s 426.77 Joback Calculated Property
η 0.0005664 Pa×s 478.08 Joback Calculated Property
η 0.0002485 Pa×s 529.40 Joback Calculated Property
η 0.0001261 Pa×s 580.71 Joback Calculated Property
η 0.0000715 Pa×s 632.02 Joback Calculated Property
η 0.0000441 Pa×s 683.34 Joback Calculated Property
η 0.0000291 Pa×s 734.65 Joback Calculated Property

Similar Compounds

Copper,bis(hydrogen 2-hydroxy-e-oxo-1-cyclohexene-1-hexanato)-, dimethyl ester. Glutarimide, 3-[[(2-oxocyclohexyl)carbonyl]methyl]-. Succinimide, 2-[2-(2-oxocyclohexyl)-2-oxoethyl]-. Cyclohexanepropionic acid, 4,4-dimethyl-2,6-dioxo-. Trinexapac-ethyl. Pentanoic acid, 3-(3-hydroxy-5,5-dimethyl-1-oxo-2-cyclohexenyl)-4-oxo-. Cyclopropanecarboxylic acid, 2,2-dimethyl-3-(2-methyl-1-propenyl)-, 2-methyl-4-oxo-3-(2-pentenyl)-2-cyclopenten-1-yl ester, [1R-[1«alpha»[S*(Z)],3«beta»]]-. Cinerin I. Glutaric acid, myrtenyl 8-chlorooctyl ester. Cyclopropanecarboxylic acid, 2,2-dimethyl-3-(2-methyl-1-propenyl)-, 2-methyl-4-oxo-3-(2-propenyl)-2-cyclopenten-1-yl ester. Bioallethrin. Allethrin, isomers 1,2. Allethrin, isomers 3,4. Cyclopropanecarboxylic acid, 3-(3-methoxy-2-methyl-3-oxo-1-propenyl)-2,2-dimethyl-, 2-methyl-4-oxo-3-(2-pentenyl)-2-cyclopenten-1-yl ester, [1R-[1«alpha»[S*(Z)],3«beta»(E)]]-. Glutaric acid, myrtenyl 2-methylpent-3-yl ester.

Find more compounds similar to Cyclohexanehexanoic acid, e,2-dioxo-, methyl ester.

Sources

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