Chemical Properties of ISOAMYL ACETOACETATE

ISOAMYL ACETOACETATE

InChI
InChI=1S/C9H16O3/c1-7(2)4-5-12-9(11)6-8(3)10/h7H,4-6H2,1-3H3
InChI Key
XHRGPLDMNNGHCX-UHFFFAOYSA-N
Formula
C9H16O3
SMILES
CC(=O)CC(=O)OCCC(C)C
Molecular Weight1
172.22
Other Names
  • Butanoic acid, 3-oxo-, 3-methylbutyl ester
  • Isoamyl acetoacetate
  • 3-Methylbutyl 3-oxobutanoate
  • Isoamyl acetylacetate
  • Isoamyl «beta»-ketobutyrate
  • Isopentyl «beta»-ketobutyrate
  • isopentyl acetoacetate
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Physical Properties

Property Value Unit Source
ΔfH°gas -669.23 kJ/mol Relay (1.0) Calculated Property
ΔfusH° 21.51 kJ/mol Joback Calculated Property
ΔvapH° 59.09 kJ/mol Relay (1.0) Calculated Property
IE 9.40 eV Relay (1.0) Calculated Property
log10WS -1.55 Relay (1.0) Calculated Property
logPoct/wat 1.555 Crippen Calculated Property
McVol 146.680 ml/mol McGowan Calculated Property
Pc 2485.07 kPa Joback Calculated Property
Tboil 491.00 K NIST
Tc 676.82 K Relay (1.0) Calculated Property
Tfus 228.84 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 [339.11; 409.21] J/mol×K [517.17; 700.92] Show Hide
Cp,gas 339.11 J/mol×K 517.17 Joback Calculated Property
Cp,gas 352.22 J/mol×K 547.79 Joback Calculated Property
Cp,gas 364.75 J/mol×K 578.42 Joback Calculated Property
Cp,gas 376.71 J/mol×K 609.04 Joback Calculated Property
Cp,gas 388.10 J/mol×K 639.67 Joback Calculated Property
Cp,gas 398.93 J/mol×K 670.29 Joback Calculated Property
Cp,gas 409.21 J/mol×K 700.92 Joback Calculated Property
η [0.0002261; 0.0060162] Pa×s [268.45; 517.17] Show Hide
η 0.0060162 Pa×s 268.45 Joback Calculated Property
η 0.0024153 Pa×s 309.90 Joback Calculated Property
η 0.0012026 Pa×s 351.36 Joback Calculated Property
η 0.0006938 Pa×s 392.81 Joback Calculated Property
η 0.0004445 Pa×s 434.26 Joback Calculated Property
η 0.0003078 Pa×s 475.72 Joback Calculated Property
η 0.0002261 Pa×s 517.17 Joback Calculated Property

Similar Compounds

BUTANOIC ACID, 3-METHYL-, 3-METHYLBUTYL ESTER. Butanoic acid, 3-methylbutyl ester. PROPAN-1,3-DIOC ACID, DI[3-METHYLBUTYL] ESTER. Butanoic acid, 3-oxo-, butyl ester. Malonic acid, butyl 3-methylbutyl ester. 1-Butanol, 3-methyl-, propanoate. Glutaric acid, di(3-methylbutyl) ester. Pentanoic acid, 3-methylbutyl ester. Butanoic acid, 3-methyl-, butyl ester. Succinic acid, di(3-methylbutyl) ester. PENTYL ACETOACETATE. Glutaric acid, ethyl 3-methylbutyl ester. 1-Butanol, 3-methyl-, acetate. Glutaric acid, butyl 3-methylbutyl ester. iso-Amyl levulinate.

Find more compounds similar to ISOAMYL ACETOACETATE.

Sources

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