Chemical Properties of 1,3-Cyclobutanediol, 2,2,4,4-tetramethyl-, mono(2-ethylhexanoate)

1,3-Cyclobutanediol, 2,2,4,4-tetramethyl-, mono(2-ethylhexanoate)

InChI
InChI=1S/C16H30O3/c1-7-9-10-11(8-2)12(17)19-14-15(3,4)13(18)16(14,5)6/h11,13-14,18H,7-10H2,1-6H3
InChI Key
TVOOJZKUWKRRCV-UHFFFAOYSA-N
Formula
C16H30O3
SMILES
CCCCC(CC)C(=O)OC1C(C)(C)C(O)C1(C)C
Molecular Weight1
270.41
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Physical Properties

Property Value Unit Source
ΔfH°gas -783.58 kJ/mol Relay (1.0) Calculated Property
ΔfusH° 27.20 kJ/mol Joback Calculated Property
ΔvapH° 91.06 kJ/mol Relay (1.0) Calculated Property
logPoct/wat 3.542 Crippen Calculated Property
McVol 238.750 ml/mol McGowan Calculated Property
Pc 1649.77 kPa Joback Calculated Property
Tboil 535.93 K Relay (1.0) Calculated Property
Tc 780.52 K Relay (1.0) Calculated Property
Tfus 304.38 K Relay (1.0) Calculated Property

Cheméo can also estimate Critical Volume, 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 [736.96; 841.20] J/mol×K [730.99; 918.31] Show Hide
Cp,gas 736.96 J/mol×K 730.99 Joback Calculated Property
Cp,gas 754.93 J/mol×K 762.21 Joback Calculated Property
Cp,gas 772.49 J/mol×K 793.43 Joback Calculated Property
Cp,gas 789.77 J/mol×K 824.65 Joback Calculated Property
Cp,gas 806.89 J/mol×K 855.87 Joback Calculated Property
Cp,gas 824.00 J/mol×K 887.09 Joback Calculated Property
Cp,gas 841.20 J/mol×K 918.31 Joback Calculated Property

Similar Compounds

1,3-Cyclobutanediol, 2,2,4,4-tetramethyl-, nonanoate, 2-ethylhexanoate. 1,3-Cyclobutanediol, 2,2,4,4-tetramethyl-, monopelargonate. 1,3-Cyclobutanediol, 2,2,4,4-tetramethyl-, monohexanoate. 1,3-Cyclobutanediol, 2,4-diethyl-2,4-dimethyl-, dipelargonate. Nonanedioic acid, bis(8,8-dimethyl-2-oxabicyclo[4.2.0]octan-7-yl) ester. 1,3,5-Cyclohexanetriol, 2,2,4,4,6,6-hexamethyl-, tripelargonate. 3,3-Dimethyl-5-0xa bicyclo[2.4.0]octan-2-ol. isobornyl2-methylbutanoate. Butanoic acid, 2-methyl, bornyl ester. Bornyl 2-methylbutanoate. 4,5-dihydrovomifoliol. 1,2-Cyclohexanedicarboxylic acid, di(2-methylcyclohexyl) ester. cis-«beta»-Methyloctalactone. 1,2-Cyclohexanedicarboxylic acid, di(2-methylpent-3-yl) ester. Cyclohexanemalonic acid, 4,4-dimethyl-alpha-hydroxy-2-(1-hydroxyethyl)-,gamma,delta-dilactone.

Find more compounds similar to 1,3-Cyclobutanediol, 2,2,4,4-tetramethyl-, mono(2-ethylhexanoate).

Sources

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