Chemical Properties of 1,3,5-Cyclohexanetriol, 2,2,4,4,6,6-hexamethyl-, tripelargonate

1,3,5-Cyclohexanetriol, 2,2,4,4,6,6-hexamethyl-, tripelargonate

InChI
InChI=1S/C39H72O6/c1-10-13-16-19-22-25-28-31(40)43-34-37(4,5)35(44-32(41)29-26-23-20-17-14-11-2)39(8,9)36(38(34,6)7)45-33(42)30-27-24-21-18-15-12-3/h34-36H,10-30H2,1-9H3
InChI Key
ZIZJJUPWGPVRKO-UHFFFAOYSA-N
Formula
C39H72O6
SMILES
CCCCCCCCC(=O)OC1C(C)(C)C(OC(=O)CCCCCCCC)C(C)(C)C(OC(=O)CCCCCCCC)C1(C)C
Molecular Weight1
636.99
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Physical Properties

Property Value Unit Source
ω 1.4560 Relay (1.0) Calculated Property
ΔfH°gas -1720.11 kJ/mol Relay (1.0) Calculated Property
ΔfusH° 83.42 kJ/mol Joback Calculated Property
ΔvapH° 151.60 kJ/mol Relay (1.0) Calculated Property
IE 9.17 eV Relay (1.0) Calculated Property
log10WS -9.30 Relay (1.0) Calculated Property
logPoct/wat 11.066 Crippen Calculated Property
McVol 571.830 ml/mol McGowan Calculated Property
Pc 462.68 kPa Joback Calculated Property
Tboil 732.35 K Relay (1.0) Calculated Property
Tc 945.83 K Relay (1.0) Calculated Property
Tfus 323.18 K Relay (1.0) Calculated Property

Cheméo can also estimate Critical Volume, Standard Gibbs free energy of formation 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 [2488.83; 3375.09] J/mol×K [1317.51; 1752.40] Show Hide
Cp,gas 2488.83 J/mol×K 1317.51 Joback Calculated Property
Cp,gas 2598.29 J/mol×K 1389.99 Joback Calculated Property
Cp,gas 2719.92 J/mol×K 1462.47 Joback Calculated Property
Cp,gas 2856.08 J/mol×K 1534.95 Joback Calculated Property
Cp,gas 3009.10 J/mol×K 1607.44 Joback Calculated Property
Cp,gas 3181.33 J/mol×K 1679.92 Joback Calculated Property
Cp,gas 3375.09 J/mol×K 1752.40 Joback Calculated Property

Similar Compounds

1,3-Cyclobutanediol, 2,4-diethyl-2,4-dimethyl-, dipelargonate. 1,3-Cyclobutanediol, 2,2,4,4-tetramethyl-, monopelargonate. 1,3-Cyclobutanediol, 2,2,4,4-tetramethyl-, nonanoate, 2-ethylhexanoate. 1,3-Cyclobutanediol, 2,2,4,4-tetramethyl-, monohexanoate. 1,3,5-Cyclohexanetriol, 2,2,4,4,6,6-hexamethyl-, triisobutyrate. 1,3-Cyclobutanediol, 2,2,4,4-tetramethyl-, mono(2-ethylhexanoate). Nonanedioic acid, bis(8,8-dimethyl-2-oxabicyclo[4.2.0]octan-7-yl) ester. Isobornyl laureate. Isobornyl caprate. Bornyl hexanoate. Pentanoic acid, 1,7,7-trimethylbicyclo[2.2.1]hept-2-yl ester, endo-. BORNYL BUTYRATE. Butanoic acid, 1,7,7-trimethylbicyclo[2.2.1]hept-2-yl ester, endo-. Glutaric acid, 2,2-dimethylpent-3-yl 2-methylhex-3-yl ester. Glutaric acid, 2-methylpent-3-yl cis-4-tert-butylcyclohexyl ester.

Find more compounds similar to 1,3,5-Cyclohexanetriol, 2,2,4,4,6,6-hexamethyl-, tripelargonate.

Sources

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