Chemical Properties of Butanoic acid, 3-oxo-, 2-methylpropyl ester (CAS 7779-75-1)

Butanoic acid, 3-oxo-, 2-methylpropyl ester

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InChI
InChI=1S/C8H14O3/c1-6(2)5-11-8(10)4-7(3)9/h6H,4-5H2,1-3H3
InChI Key
ZYXNLVMBIHVDRH-UHFFFAOYSA-N
Formula
C8H14O3
SMILES
CC(=O)CC(=O)OCC(C)C
Molecular Weight1
158.19
CAS
7779-75-1
Other Names
  • Acetoacetic acid, isobutyl ester
  • Isobutyl acetoacetate
  • 2-Methyl-1-propyl acetoacetate
  • Isobutyl 3-ketobutanoate
  • Isobutyl 3-ketobutyrate
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Physical Properties

Property Value Unit Source
Δf -348.80 kJ/mol Joback Calculated Property
Δfgas -571.11 kJ/mol Joback Calculated Property
Δfus 17.34 kJ/mol Joback Calculated Property
Δvap 48.92 kJ/mol Joback Calculated Property
log10WS -1.07 Crippen Calculated Property
logPoct/wat 1.165 Crippen Calculated Property
McVol 132.590 ml/mol McGowan Calculated Property
Pc 2862.74 kPa Joback Calculated Property
I [1586.00; 1586.00]   Show Hide
I 1586.00 NIST
I 1586.00 NIST
Tboil 477.00 K NIST
Tc 700.78 K Joback Calculated Property
Tfus 287.01 K Joback Calculated Property
Vc 0.507 m3/kmol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas [298.94; 362.98] J/mol×K [512.16; 700.78] Show Hide
Cp,gas 298.94 J/mol×K 512.16 Joback Calculated Property
Cp,gas 310.84 J/mol×K 543.60 Joback Calculated Property
Cp,gas 322.24 J/mol×K 575.03 Joback Calculated Property
Cp,gas 333.16 J/mol×K 606.47 Joback Calculated Property
Cp,gas 343.58 J/mol×K 637.91 Joback Calculated Property
Cp,gas 353.52 J/mol×K 669.35 Joback Calculated Property
Cp,gas 362.98 J/mol×K 700.78 Joback Calculated Property
η [0.0002635; 0.0036492] Pa×s [287.01; 512.16] Show Hide
η 0.0036492 Pa×s 287.01 Joback Calculated Property
η 0.0018279 Pa×s 324.53 Joback Calculated Property
η 0.0010567 Pa×s 362.06 Joback Calculated Property
η 0.0006771 Pa×s 399.58 Joback Calculated Property
η 0.0004683 Pa×s 437.11 Joback Calculated Property
η 0.0003434 Pa×s 474.63 Joback Calculated Property
η 0.0002635 Pa×s 512.16 Joback Calculated Property

Pressure Dependent Properties

Property Value Unit Pressure (kPa) Source
Tboilr 373.20 K 2.90 NIST

Similar Compounds

Butanoic acid, 3-oxo-, propyl ester. Butanoic acid, 2-methylpropyl ester. methylpropyl-d3 butanoate-d3. Butanoic acid, 3-oxo-, butyl ester. Isobutyl isovalerate. Propanedioic acid, diisobutyl ester. Pentanedioic acid, bis(2-methylpropyl) ester. Pentanoic acid, 2-methylpropyl ester. Butanoic acid, 3-chloro, 2-methylpropyl ester. Acetoacetic acid isoamyl ester. Butanedioic acid, bis(2-methylpropyl) ester. Pentanoic acid, 4-oxo-, 2-methylpropyl ester. Glutaric acid, isobutyl neopentyl ester. Glutaric acid, isobutyl propyl ester. Glutaric acid, ethyl isobutyl ester.

Find more compounds similar to Butanoic acid, 3-oxo-, 2-methylpropyl ester.

Sources

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