Chemical Properties of 1,3-Cyclobutanediol, 2,2,4,4-tetramethyl-, monohexanoate (CAS 116373-51-4)

1,3-Cyclobutanediol, 2,2,4,4-tetramethyl-, monohexanoate

InChI
InChI=1S/C14H26O3/c1-6-7-8-9-10(15)17-12-13(2,3)11(16)14(12,4)5/h11-12,16H,6-9H2,1-5H3
InChI Key
SEXQLQZUVYMARV-UHFFFAOYSA-N
Formula
C14H26O3
SMILES
CCCCCC(=O)OC1C(C)(C)C(O)C1(C)C
Molecular Weight1
242.35
CAS
116373-51-4
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Physical Properties

Property Value Unit Source
ΔfH°gas -744.22 kJ/mol Relay (1.0) Calculated Property
ΔfusH° 25.54 kJ/mol Joback Calculated Property
ΔvapH° 85.23 kJ/mol Relay (1.0) Calculated Property
IE 9.55 eV Relay (1.0) Calculated Property
log10WS -3.18 Relay (1.0) Calculated Property
logPoct/wat 2.905 Crippen Calculated Property
McVol 210.570 ml/mol McGowan Calculated Property
Pc 1927.05 kPa Joback Calculated Property
Tboil 528.77 K Relay (1.0) Calculated Property
Tc 762.43 K Relay (1.0) Calculated Property
Tfus 314.58 K Relay (1.0) Calculated Property

Cheméo can also estimate Critical Volume, Standard Gibbs free energy of formation, Acentric Factor 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 [624.19; 718.11] J/mol×K [685.67; 872.04] Show Hide
Cp,gas 624.19 J/mol×K 685.67 Joback Calculated Property
Cp,gas 640.62 J/mol×K 716.73 Joback Calculated Property
Cp,gas 656.57 J/mol×K 747.79 Joback Calculated Property
Cp,gas 672.17 J/mol×K 778.85 Joback Calculated Property
Cp,gas 687.55 J/mol×K 809.91 Joback Calculated Property
Cp,gas 702.82 J/mol×K 840.98 Joback Calculated Property
Cp,gas 718.11 J/mol×K 872.04 Joback Calculated Property

Similar Compounds

1,3-Cyclobutanediol, 2,2,4,4-tetramethyl-, monopelargonate. 1,3-Cyclobutanediol, 2,2,4,4-tetramethyl-, mono(2-ethylhexanoate). 1,3-Cyclobutanediol, 2,4-diethyl-2,4-dimethyl-, dipelargonate. 1,3,5-Cyclohexanetriol, 2,2,4,4,6,6-hexamethyl-, tripelargonate. 1,3-Cyclobutanediol, 2,2,4,4-tetramethyl-, nonanoate, 2-ethylhexanoate. 1,3-Cyclobutanediol, 2,2,4,4-tetramethyl-, monoacetate. Nonanedioic acid, bis(8,8-dimethyl-2-oxabicyclo[4.2.0]octan-7-yl) ester. 2-Methyl-2-ethyl-3-hydroxyhexyl propionate. Glutaric acid, 2,2-dimethylpent-3-yl hexyl ester. Glutaric acid, 2,2-dimethylpent-3-yl heptyl ester. Glutaric acid, 2,2-dimethylpent-3-yl pentadecyl ester. Glutaric acid, 2,2-dimethylpent-3-yl tetradecyl ester. Glutaric acid, 2,2-dimethylpent-3-yl octyl ester. Glutaric acid, 2,2-dimethylpent-3-yl hexadecyl ester. Glutaric acid, 2,2-dimethylpent-3-yl dodecyl ester.

Find more compounds similar to 1,3-Cyclobutanediol, 2,2,4,4-tetramethyl-, monohexanoate.

Sources

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