Chemical Properties of 2,2,4-Trimethyl-3-oxovaleric acid, 2-ethylhexyl ester (CAS 4447-76-1)

2,2,4-Trimethyl-3-oxovaleric acid, 2-ethylhexyl ester

InChI
InChI=1S/C16H30O3/c1-7-9-10-13(8-2)11-19-15(18)16(5,6)14(17)12(3)4/h12-13H,7-11H2,1-6H3
InChI Key
ZNMKKKLXWORYSF-UHFFFAOYSA-N
Formula
C16H30O3
SMILES
CCCCC(CC)COC(=O)C(C)(C)C(=O)C(C)C
Molecular Weight1
270.41
CAS
4447-76-1
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Physical Properties

Property Value Unit Source
ΔfusH° 28.70 kJ/mol Joback Calculated Property
log10WS -4.18 Relay (1.0) Calculated Property
logPoct/wat 3.997 Crippen Calculated Property
McVol 245.310 ml/mol McGowan Calculated Property
Pc 1422.92 kPa Joback Calculated Property
Tboil 542.46 K Relay (1.0) Calculated Property
Tfus 240.08 K Relay (1.0) Calculated Property

Cheméo can also estimate Critical Temperature, Critical Volume, Enthalpy of formation at standard conditions, Enthalpy of vaporization at standard conditions, Standard Gibbs free energy of formation, Acentric Factor, Ionization energy 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 [699.38; 792.98] J/mol×K [673.66; 857.95] Show Hide
Cp,gas 699.38 J/mol×K 673.66 Joback Calculated Property
Cp,gas 717.34 J/mol×K 704.38 Joback Calculated Property
Cp,gas 734.31 J/mol×K 735.09 Joback Calculated Property
Cp,gas 750.33 J/mol×K 765.81 Joback Calculated Property
Cp,gas 765.43 J/mol×K 796.52 Joback Calculated Property
Cp,gas 779.63 J/mol×K 827.24 Joback Calculated Property
Cp,gas 792.98 J/mol×K 857.95 Joback Calculated Property
η [0.0000798; 0.0051221] Pa×s [334.76; 673.66] Show Hide
η 0.0051221 Pa×s 334.76 Joback Calculated Property
η 0.0015517 Pa×s 391.24 Joback Calculated Property
η 0.0006354 Pa×s 447.73 Joback Calculated Property
η 0.0003178 Pa×s 504.21 Joback Calculated Property
η 0.0001828 Pa×s 560.69 Joback Calculated Property
η 0.0001163 Pa×s 617.18 Joback Calculated Property
η 0.0000798 Pa×s 673.66 Joback Calculated Property

Similar Compounds

Dimethylmalonic acid, di(2-ethylhexyl) ester. Dimethylmalonic acid, ethyl 2-ethylhexyl ester. Dimethylmalonic acid, 2-ethylhexyl isobutyl ester. Dimethylmalonic acid, 2-ethylhexyl hexyl ester. Dimethylmalonic acid, butyl 2-ethylhexyl ester. Diethylmalonic acid, di(2-ethylhexyl) ester. Dimethylmalonic acid, 2-ethylhexyl heptyl ester. Dimethylmalonic acid, 2-ethylhexyl isohexyl ester. Dimethylmalonic acid, 2-ethylhexyl undecyl ester. Dimethylmalonic acid, 2-ethylhexyl octyl ester. Dimethylmalonic acid, dodecyl 2-ethylhexyl ester. Dimethylmalonic acid, 2-ethylhexyl tridecyl ester. Dimethylmalonic acid, 2-ethylhexyl pentadecyl ester. Dimethylmalonic acid, 2-ethylhexyl tetradecyl ester. Dimethylmalonic acid, 2-ethylhexyl nonyl ester.

Find more compounds similar to 2,2,4-Trimethyl-3-oxovaleric acid, 2-ethylhexyl ester.

Sources

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