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
Cheméo is a service of Céondo GmbH, since 2007, we provide simulation, modelling and software development services for the industry. Do not hesitate to contact us for your projects.

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.

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas [1261.65; 1431.48] J/mol×K [918.98; 1132.00] Show Hide
Cp,gas 1261.65 J/mol×K 918.98 Joback Calculated Property
Cp,gas 1288.77 J/mol×K 954.48 Joback Calculated Property
Cp,gas 1316.05 J/mol×K 989.99 Joback Calculated Property
Cp,gas 1343.73 J/mol×K 1025.49 Joback Calculated Property
Cp,gas 1372.04 J/mol×K 1060.99 Joback Calculated Property
Cp,gas 1401.21 J/mol×K 1096.49 Joback Calculated Property
Cp,gas 1431.48 J/mol×K 1132.00 Joback 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. Bornyl isobutyrate. exo-1,7,7-trimethylbicyclo[2.2.1]hept-2-yl 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

Note: Cheméo is only indexing the data, follow the source links to retrieve the latest data. The source is also providing more information like the publication year, authors and more. Take the time to validate and double check the source of the data.
These property values are available through the Cheméo API. A free account gives you an access key.