Chemical Properties of Propanoic acid, 3-hydroxy-2-methyl, 2,4,4-trimethylpentyl ester

Propanoic acid, 3-hydroxy-2-methyl, 2,4,4-trimethylpentyl ester

InChI
InChI=1S/C12H24O3/c1-9(6-12(3,4)5)8-15-11(14)10(2)7-13/h9-10,13H,6-8H2,1-5H3
InChI Key
UWYBMAMAOBQGNK-UHFFFAOYSA-N
Formula
C12H24O3
SMILES
CC(COC(=O)C(C)CO)CC(C)(C)C
Molecular Weight1
216.32
Other Names
  • propionic acid, -3-hydroxy-2-methyl-, 2,4,4-trimethylpentyl ester
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Physical Properties

Property Value Unit Source
ΔfusH° 20.83 kJ/mol Joback Calculated Property
ΔvapH° 76.69 kJ/mol Relay (1.0) Calculated Property
logPoct/wat 2.230 Crippen Calculated Property
McVol 193.250 ml/mol McGowan Calculated Property
Inp 1387.00 NIST
Tboil 529.04 K Relay (1.0) Calculated Property
Tfus 269.28 K Relay (1.0) Calculated Property

Cheméo can also estimate Critical Temperature, Critical Pressure, Critical Volume, Enthalpy of formation at standard conditions, Standard Gibbs free energy of formation, Acentric Factor, Ionization energy, 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 [528.09; 605.91] J/mol×K [620.45; 796.14] Show Hide
Cp,gas 528.09 J/mol×K 620.45 Joback Calculated Property
Cp,gas 542.87 J/mol×K 649.73 Joback Calculated Property
Cp,gas 556.90 J/mol×K 679.01 Joback Calculated Property
Cp,gas 570.19 J/mol×K 708.29 Joback Calculated Property
Cp,gas 582.77 J/mol×K 737.57 Joback Calculated Property
Cp,gas 594.67 J/mol×K 766.86 Joback Calculated Property
Cp,gas 605.91 J/mol×K 796.14 Joback Calculated Property
η [0.0000399; 0.0302728] Pa×s [300.57; 620.45] Show Hide
η 0.0302728 Pa×s 300.57 Joback Calculated Property
η 0.0043606 Pa×s 353.88 Joback Calculated Property
η 0.0010432 Pa×s 407.20 Joback Calculated Property
η 0.0003476 Pa×s 460.51 Joback Calculated Property
η 0.0001455 Pa×s 513.82 Joback Calculated Property
η 0.0000717 Pa×s 567.14 Joback Calculated Property
η 0.0000399 Pa×s 620.45 Joback Calculated Property

Similar Compounds

2,4,4-Trimethylpentane-1,3-diyl bis(2-methylpropanoate). Succinic acid, di(2,4,4-trimethylpentyl) ester. Succinic acid, isobutyl 2,4,4-trimethylpentyl ester. Succinic acid, propyl 2,4,4-trimethylpentyl ester. 2-Ethylbutyric acid, 2,4,4-trimethylpentyl ester. Propanoic acid, 2-methyl-, 2-methylpentyl ester. Succinic acid, ethyl 2,4,4-trimethylpentyl ester. Acetic acid, 2,4,4-trimethylpentyl ester. Succinic acid, butyl 2,4,4-trimethylpentyl ester. Glutaric acid, isobutyl 2,4,4-trimethylpentyl ester. Glutaric acid, di(2,4,4-trimethylpentyl) ester. Succinic acid, 1,1,1-trifluoroprop-2-yl 2,4,4-trimethylpentyl ester. Succinic acid, pentyl 2,4,4-trimethylpentyl ester. Glutaric acid, propyl 2,4,4-trimethylpentyl ester. Succinic acid, 2,2-dichloroethyl 2,4,4-trimethylpentyl ester.

Find more compounds similar to Propanoic acid, 3-hydroxy-2-methyl, 2,4,4-trimethylpentyl ester.

Sources

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