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

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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
ΔfG° -289.20 kJ/mol Joback Calculated Property
ΔfH°gas -693.22 kJ/mol Joback Calculated Property
ΔfusH° 25.54 kJ/mol Joback Calculated Property
ΔvapH° 69.45 kJ/mol Joback Calculated Property
log10WS -3.44 Crippen 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 685.67 K Joback Calculated Property
Tc 872.04 K Joback Calculated Property
Tfus 430.02 K Joback Calculated Property
Vc 0.804 m3/kmol Joback Calculated Property

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 tridecyl 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, decyl 2,2-dimethylpent-3-yl ester.

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

Sources

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