Chemical Properties of 2,2,4-Trimethyl-1,3-pentanediol diacetate

2,2,4-Trimethyl-1,3-pentanediol diacetate

InChI
InChI=1S/C12H22O4/c1-8(2)11(16-10(4)14)12(5,6)7-15-9(3)13/h8,11H,7H2,1-6H3
InChI Key
AVQIDJASTVSUMQ-UHFFFAOYSA-N
Formula
C12H22O4
SMILES
CC(=O)OCC(C)(C)C(OC(C)=O)C(C)C
Molecular Weight1
230.30
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Physical Properties

Property Value Unit Source
ΔfusH° 21.11 kJ/mol Joback Calculated Property
log10WS -2.37 Relay (1.0) Calculated Property
logPoct/wat 2.163 Crippen Calculated Property
McVol 194.820 ml/mol McGowan Calculated Property
Tboil 514.43 K Relay (1.0) Calculated Property
Tfus 277.13 K Relay (1.0) Calculated Property

Cheméo can also estimate Critical Temperature, Critical Pressure, 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 [507.52; 592.79] J/mol×K [586.49; 774.13] Show Hide
Cp,gas 507.52 J/mol×K 586.49 Joback Calculated Property
Cp,gas 523.90 J/mol×K 617.76 Joback Calculated Property
Cp,gas 539.39 J/mol×K 649.04 Joback Calculated Property
Cp,gas 554.01 J/mol×K 680.31 Joback Calculated Property
Cp,gas 567.77 J/mol×K 711.58 Joback Calculated Property
Cp,gas 580.69 J/mol×K 742.86 Joback Calculated Property
Cp,gas 592.79 J/mol×K 774.13 Joback Calculated Property
η [0.0001008; 0.0107128] Pa×s [282.08; 586.49] Show Hide
η 0.0107128 Pa×s 282.08 Joback Calculated Property
η 0.0027208 Pa×s 332.82 Joback Calculated Property
η 0.0009930 Pa×s 383.55 Joback Calculated Property
η 0.0004587 Pa×s 434.29 Joback Calculated Property
η 0.0002490 Pa×s 485.02 Joback Calculated Property
η 0.0001518 Pa×s 535.75 Joback Calculated Property
η 0.0001008 Pa×s 586.49 Joback Calculated Property

Similar Compounds

2,2,4-Trimethyl-1,3-pentanediol diisobutyrate. 2,4,4-Trimethylpentane-1,3-diol diisobutyrate. 3-hydroxy-2,2,4-trimethylpentyl isobutyrate. 2-Methylpropanoic acid, 2,2-dimethyl-1-(2-hydroxy-1-methylethyl)propyl ester. 2,2-dimethyl-1-(2-hydroxy-1-methylethyl)propyl-2-methylpropanoate. 1,3-Dioxane, 2,4-diisopropyl-5,5-dimethyl-. Succinic acid, (adamant-1-yl)methyl 2-methylpent-3-yl ester. Malonic acid, 2,4-dimethylpent-3-yl pentyl ester. Succinic acid, (adamant-1-yl)methyl 3-methylbut-2-yl ester. Malonic acid, 2,4-dimethylpent-3-yl hexyl ester. propionic acid, 2-methyl-2,2-dimethyl-1-(2-hydroxy-1-methylethyl)-, propyl ester. Malonic acid, 3,3-dimethylbut-2-yl isohexyl ester. Nonanedioic acid, bis(8,8-dimethyl-2-oxabicyclo[4.2.0]octan-7-yl) ester. Malonic acid, 2,4-dimethylpent-3-yl hexadecyl ester. Malonic acid, 2,4-dimethylpent-3-yl octyl ester.

Find more compounds similar to 2,2,4-Trimethyl-1,3-pentanediol diacetate.

Sources

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