Chemical Properties of Hexanoic acid, 3,5,5-trimethyl-, tridec-6-yl ester

Hexanoic acid, 3,5,5-trimethyl-, tridec-6-yl ester

InChI
InChI=1S/C22H44O2/c1-7-9-11-12-14-16-20(15-13-10-8-2)24-21(23)17-19(3)18-22(4,5)6/h19-20H,7-18H2,1-6H3
InChI Key
AUFHVUVLSWCFOE-UHFFFAOYSA-N
Formula
C22H44O2
SMILES
CCCCCCCC(CCCCC)OC(=O)CC(C)CC(C)(C)C
Molecular Weight1
340.58
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Physical Properties

Property Value Unit Source
ΔfusH° 42.64 kJ/mol Joback Calculated Property
logPoct/wat 7.301 Crippen Calculated Property
McVol 328.280 ml/mol McGowan Calculated Property
Inp 2056.00 NIST
Tboil 584.49 K Relay (1.0) Calculated Property
Tfus 235.09 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, 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 [1022.89; 1133.18] J/mol×K [757.07; 934.85] Show Hide
Cp,gas 1022.89 J/mol×K 757.07 Joback Calculated Property
Cp,gas 1043.91 J/mol×K 786.70 Joback Calculated Property
Cp,gas 1063.82 J/mol×K 816.33 Joback Calculated Property
Cp,gas 1082.67 J/mol×K 845.96 Joback Calculated Property
Cp,gas 1100.48 J/mol×K 875.59 Joback Calculated Property
Cp,gas 1117.30 J/mol×K 905.22 Joback Calculated Property
Cp,gas 1133.18 J/mol×K 934.85 Joback Calculated Property
η [0.0000343; 0.0037083] Pa×s [352.45; 757.07] Show Hide
η 0.0037083 Pa×s 352.45 Joback Calculated Property
η 0.0009080 Pa×s 419.89 Joback Calculated Property
η 0.0003282 Pa×s 487.32 Joback Calculated Property
η 0.0001519 Pa×s 554.76 Joback Calculated Property
η 0.0000831 Pa×s 622.20 Joback Calculated Property
η 0.0000511 Pa×s 689.63 Joback Calculated Property
η 0.0000343 Pa×s 757.07 Joback Calculated Property

Similar Compounds

Hexanoic acid, 3,5,5-trimethyl-, tridec-4-yl ester. Hexanoic acid, 3,5,5-trimethyl-, pentadec-6-yl ester. Hexanoic acid, 3,5,5-trimethyl-, tetradec-5-yl ester. Hexanoic acid, 3,5,5-trimethyl-, pentadec-5-yl ester. Hexanoic acid, 3,5,5-trimethyl-, pentadec-4-yl ester. Hexanoic acid, 3,5,5-trimethyl-, tetradec-4-yl ester. Hexanoic acid, 3,5,5-trimethyl-, tetradec-6-yl ester. Hexanoic acid, 3,5,5-trimethyl-, tetradec-7-yl ester. Hexanoic acid, 3,5,5-trimethyl-, tridec-5-yl ester. Hexanoic acid, 3,5,5-trimethyl-, tetradec-3-yl ester. Hexanoic acid, 3,5,5-trimethyl-, tridec-3-yl ester. Hexanoic acid, 3,5,5-trimethyl-, pentadec-3-yl ester. Hexanoic acid, 3,5,5-trimethyl-, tridec-2-yl ester. Hexanoic acid, 3,5,5-trimethyl-, pentadec-2-yl ester. Hexanoic acid, 3,5,5-trimethyl-, dec-2-yl ester.

Find more compounds similar to Hexanoic acid, 3,5,5-trimethyl-, tridec-6-yl ester.

Sources

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