Chemical Properties of Valeric acid, 2,2,4-trimethyl-3-oxo-, tert-butyl ester (CAS 4447-75-0)

Valeric acid, 2,2,4-trimethyl-3-oxo-, tert-butyl ester

InChI
InChI=1S/C12H22O3/c1-8(2)9(13)12(6,7)10(14)15-11(3,4)5/h8H,1-7H3
InChI Key
FXJMOZRQCUAZPE-UHFFFAOYSA-N
Formula
C12H22O3
SMILES
CC(C)C(=O)C(C)(C)C(=O)OC(C)(C)C
Molecular Weight1
214.30
CAS
4447-75-0
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Physical Properties

Property Value Unit Source
ΔfH°gas -751.00 kJ/mol Relay (1.0) Calculated Property
ΔfusH° 14.45 kJ/mol Joback Calculated Property
ΔvapH° 60.84 kJ/mol Relay (1.0) Calculated Property
IE 8.85 eV Relay (1.0) Calculated Property
logPoct/wat 2.579 Crippen Calculated Property
McVol 188.950 ml/mol McGowan Calculated Property
Pc 1964.82 kPa Joback Calculated Property
Tboil 479.87 K Relay (1.0) Calculated Property
Tfus 291.49 K Relay (1.0) Calculated Property

Cheméo can also estimate Critical Temperature, Critical Volume, Standard Gibbs free energy of formation, Acentric Factor, Log10 of Water solubility in mol/l 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 [489.17; 576.13] J/mol×K [579.35; 777.61] Show Hide
Cp,gas 489.17 J/mol×K 579.35 Joback Calculated Property
Cp,gas 506.13 J/mol×K 612.39 Joback Calculated Property
Cp,gas 522.04 J/mol×K 645.44 Joback Calculated Property
Cp,gas 536.95 J/mol×K 678.48 Joback Calculated Property
Cp,gas 550.91 J/mol×K 711.53 Joback Calculated Property
Cp,gas 563.95 J/mol×K 744.57 Joback Calculated Property
Cp,gas 576.13 J/mol×K 777.61 Joback Calculated Property
η [0.0001360; 0.0072118] Pa×s [307.10; 579.35] Show Hide
η 0.0072118 Pa×s 307.10 Joback Calculated Property
η 0.0024299 Pa×s 352.48 Joback Calculated Property
η 0.0010493 Pa×s 397.85 Joback Calculated Property
η 0.0005381 Pa×s 443.22 Joback Calculated Property
η 0.0003124 Pa×s 488.60 Joback Calculated Property
η 0.0001989 Pa×s 533.97 Joback Calculated Property
η 0.0001360 Pa×s 579.35 Joback Calculated Property

Similar Compounds

2,2,4-Trimethyl-3-oxovaleric acid, isopropyl ester. 2,2,4-Trimethyl-3-oxovaleric acid, ethyl ester. Valeric acid, 2,2,4-trimethyl-3-oxo-, methyl ester. Ethylene glycol bis(2,2,4-trimethyl-3-oxovalerate). Valeric acid, 2,2,4-trimethyl-3-oxo-, iso-butyl ester. Ethylene glycol mono-2,2,4-trimethyl-3-oxovalerate. Valeric acid, 2,2,4-trimethyl-3-oxo-, butyl ester. Ethylene glycol iso-butyrate-2,2,4-trimethyl-3-oxovalerate. 2,2,4-Trimethyl-3-oxovaleric acid, 2-ethylhexyl ester. Adamantane-1-carboxylic acid, tert.-butyl ester. 1-Adamantanecarboxylic acid, isopropyl ester. BUTANOIC ACID, 2,2-DIMETHYL-3-OXO-, ETHYL ESTER. .alpha.-Acetyl-.alpha.-methyl-gammabutyrolactone. 1-Adamantanecarboxylic acid, 2-butyl ester. Valeric acid, 4-hydroxy-2,2,4-trimethyl, gamma-lactone.

Find more compounds similar to Valeric acid, 2,2,4-trimethyl-3-oxo-, tert-butyl ester.

Sources

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