Chemical Properties of Sebacic acid, hex-4-yn-3-yl isobutyl ester

Sebacic acid, hex-4-yn-3-yl isobutyl ester

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InChI
InChI=1S/C20H34O4/c1-5-13-18(6-2)24-20(22)15-12-10-8-7-9-11-14-19(21)23-16-17(3)4/h17-18H,6-12,14-16H2,1-4H3
InChI Key
RKVQQXFRTCAJIJ-UHFFFAOYSA-N
Formula
C20H34O4
SMILES
CC#CC(CC)OC(=O)CCCCCCCCC(=O)OCC(C)C
Molecular Weight1
338.48
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Physical Properties

Property Value Unit Source
Δf -152.40 kJ/mol Joback Calculated Property
Δfgas -683.99 kJ/mol Joback Calculated Property
Δfus 49.21 kJ/mol Joback Calculated Property
Δvap 79.80 kJ/mol Joback Calculated Property
log10WS -5.58 Crippen Calculated Property
logPoct/wat 4.652 Crippen Calculated Property
McVol 298.940 ml/mol McGowan Calculated Property
Pc 1214.05 kPa Joback Calculated Property
Inp 2299.00 NIST
Tboil 817.70 K Joback Calculated Property
Tc 1011.28 K Joback Calculated Property
Tfus 535.58 K Joback Calculated Property
Vc 1.153 m3/kmol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas [920.80; 1010.33] J/mol×K [817.70; 1011.28] Show Hide
Cp,gas 920.80 J/mol×K 817.70 Joback Calculated Property
Cp,gas 938.39 J/mol×K 849.96 Joback Calculated Property
Cp,gas 954.89 J/mol×K 882.23 Joback Calculated Property
Cp,gas 970.32 J/mol×K 914.49 Joback Calculated Property
Cp,gas 984.69 J/mol×K 946.75 Joback Calculated Property
Cp,gas 998.02 J/mol×K 979.02 Joback Calculated Property
Cp,gas 1010.33 J/mol×K 1011.28 Joback Calculated Property

Similar Compounds

Sebacic acid, hex-4-yn-3-yl propyl ester. Sebacic acid, butyl hex-4-yn-3-yl ester. Sebacic acid, hex-4-yn-3-yl tridecyl ester. Sebacic acid, decyl hex-4-yn-3-yl ester. Sebacic acid, heptyl hex-4-yn-3-yl ester. Sebacic acid, hex-4-yn-3-yl octyl ester. Sebacic acid, hex-4-yn-3-yl pentadecyl ester. Sebacic acid, hex-4-yn-3-yl undecyl ester. Sebacic acid, hexyl hex-4-yn-3-yl ester. Sebacic acid, hex-4-yn-3-yl nonyl ester. Sebacic acid, hex-4-yn-3-yl tetradecyl ester. Glutaric acid, hex-4-yn-3-yl isobutyl ester. Glutaric acid, dodecyl hex-4-yn-3-yl ester. Glutaric acid, hex-4-yn-3-yl nonyl ester. Glutaric acid, decyl hex-4-yn-3-yl ester.

Find more compounds similar to Sebacic acid, hex-4-yn-3-yl isobutyl ester.

Sources

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