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

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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 (... Calculated Property
ΔfG° -454.83 kJ/mol Joback Calculated Property
ΔfH°gas -1720.11 kJ/mol Relay (... Calculated Property
ΔfusH° 83.42 kJ/mol Joback Calculated Property
ΔvapH° 151.06 kJ/mol Relay (... Calculated Property
IE 9.17 eV Relay (... Calculated Property
log10WS -9.30 Relay (... 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 (... Calculated Property
Tc 944.58 K Relay (... Calculated Property
Tfus 326.87 K Relay (... Calculated Property
Vc 2.126 m3/kmol Relay (... Calculated Property

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. Bornyl hexanoate. Isobornyl laureate. Isobornyl caprate. 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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