Chemical Properties of 1,3,5-Cyclohexanetriol, 2,2,4,4,6,6-hexamethyl-, triisobutyrate (CAS 101611-75-0)

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

InChI
InChI=1S/C24H42O6/c1-13(2)16(25)28-19-22(7,8)20(29-17(26)14(3)4)24(11,12)21(23(19,9)10)30-18(27)15(5)6/h13-15,19-21H,1-12H3
InChI Key
UQSQGZQFVQERPO-UHFFFAOYSA-N
Formula
C24H42O6
SMILES
CC(C)C(=O)OC1C(C)(C)C(OC(=O)C(C)C)C(C)(C)C(OC(=O)C(C)C)C1(C)C
Molecular Weight1
426.59
CAS
101611-75-0
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Physical Properties

Property Value Unit Source
ω 0.8088 Relay (1.0) Calculated Property
ΔfusH° 38.75 kJ/mol Joback Calculated Property
ΔvapH° 97.29 kJ/mol Relay (1.0) Calculated Property
IE 9.06 eV Relay (1.0) Calculated Property
logPoct/wat 4.782 Crippen Calculated Property
McVol 360.480 ml/mol McGowan Calculated Property
Pc 913.84 kPa Joback Calculated Property
Tboil 589.04 K Relay (1.0) Calculated Property
Tc 820.84 K Relay (1.0) Calculated Property
Tfus 356.99 K Relay (1.0) Calculated Property
Vc 1.324 m3/kmol Relay (1.0) Calculated Property

Cheméo can also estimate Enthalpy of formation at standard conditions, Standard Gibbs free energy of formation, 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.

Correlations

Property Value Unit Temperature (K) Source
Cp,gas [524.10; 1323.81] J/mol×K [273.00; 1000.00] Joback Predicted correlation Show Hide
EquationY = A + B·T + C·T² + D·T³ + E·T⁴
Y is Cp,gas in J/mol×K, T in K
Coefficient A-1.33630e+02
Coefficient B3.00264e+00
Coefficient C-2.40940e-03
Coefficient D8.64200e-07
Coefficient E0.00000e+00
Temperature range, min.273.00
Temperature range, max.1000.00
Cp,gas 524.10 J/mol×K 273.00 Calculated Property
Cp,gas 665.35 J/mol×K 353.78 Calculated Property
Cp,gas 787.11 J/mol×K 434.56 Calculated Property
Cp,gas 892.14 J/mol×K 515.33 Calculated Property
Cp,gas 983.16 J/mol×K 596.11 Calculated Property
Cp,gas 1062.91 J/mol×K 676.89 Calculated Property
Cp,gas 1134.11 J/mol×K 757.67 Calculated Property
Cp,gas 1199.51 J/mol×K 838.44 Calculated Property
Cp,gas 1261.83 J/mol×K 919.22 Calculated Property
Cp,gas 1323.81 J/mol×K 1000.00 Calculated Property

Similar Compounds

1,3,5-Cyclohexanetriol, 2,2,4,4,6,6-hexamethyl-, tripelargonate. 1,3-Cyclobutanediol, 2,4-diethyl-2,4-dimethyl-, dipelargonate. 2,2,4-Trimethyl-1,3-pentanediol diisobutyrate. 1,3-Cyclobutanediol, 2,2,4,4-tetramethyl-, nonanoate, 2-ethylhexanoate. 1,3-Cyclobutanediol, 2,2,4,4-tetramethyl-, mono(2-ethylhexanoate). 2,4,4-Trimethylpentane-1,3-diol diisobutyrate. 2,2,4-Trimethyl-1,3-pentanediol diacetate. 1,3-Cyclobutanediol, 2,2,4,4-tetramethyl-, monohexanoate. 1,3-Cyclobutanediol, 2,2,4,4-tetramethyl-, monopelargonate. 6-hydroxy-Isobornyl Isobutyrate. 2-Methylpropanoic acid, 2,2-dimethyl-1-(2-hydroxy-1-methylethyl)propyl ester. 3-hydroxy-2,2,4-trimethylpentyl isobutyrate. exo-1,7,7-trimethylbicyclo[2.2.1]hept-2-yl isobutyrate. Bornyl isobutyrate. Trans-1,3-cyclobutanediol, 2,2,4,4-tetramethyl-, diacetate.

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

Sources

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