Chemical Properties of Sebacic acid, 2,7-dimethylocta-7-en-5-yn-4-yl hexyl ester

Sebacic acid, 2,7-dimethylocta-7-en-5-yn-4-yl hexyl ester

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InChI
InChI=1S/C26H44O4/c1-6-7-8-15-20-29-25(27)16-13-11-9-10-12-14-17-26(28)30-24(21-23(4)5)19-18-22(2)3/h23-24H,2,6-17,20-21H2,1,3-5H3
InChI Key
QENMDAFWCNSMBD-UHFFFAOYSA-N
Formula
C26H44O4
SMILES
C=C(C)C#CC(CC(C)C)OC(=O)CCCCCCCCC(=O)OCCCCCC
Molecular Weight1
420.63
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Physical Properties

Property Value Unit Source
Δf -22.59 kJ/mol Joback Calculated Property
Δfgas -692.19 kJ/mol Joback Calculated Property
Δfus 62.16 kJ/mol Joback Calculated Property
Δvap 92.57 kJ/mol Joback Calculated Property
log10WS -7.95 Crippen Calculated Property
logPoct/wat 6.768 Crippen Calculated Property
McVol 379.180 ml/mol McGowan Calculated Property
Pc 865.56 kPa Joback Calculated Property
Inp [2728.00; 2728.00]   Show Hide
Inp 2728.00 NIST
Inp 2728.00 NIST
Tboil 951.54 K Joback Calculated Property
Tc 1165.04 K Joback Calculated Property
Tfus 587.48 K Joback Calculated Property
Vc 1.472 m3/kmol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas [1261.56; 1353.92] J/mol×K [951.54; 1165.04] Show Hide
Cp,gas 1261.56 J/mol×K 951.54 Joback Calculated Property
Cp,gas 1280.43 J/mol×K 987.12 Joback Calculated Property
Cp,gas 1297.86 J/mol×K 1022.71 Joback Calculated Property
Cp,gas 1313.87 J/mol×K 1058.29 Joback Calculated Property
Cp,gas 1328.52 J/mol×K 1093.87 Joback Calculated Property
Cp,gas 1341.86 J/mol×K 1129.46 Joback Calculated Property
Cp,gas 1353.92 J/mol×K 1165.04 Joback Calculated Property

Similar Compounds

Sebacic acid, 2,7-dimethylocta-7-en-5-yn-4-yl pentyl ester. Sebacic acid, 2,7-dimethylocta-7-en-5-yn-4-yl heptyl ester. Sebacic acid, butyl 2,7-dimethylocta-7-en-5-yn-4-yl ester. Glutaric acid, decyl 2,7-dimethyloct-5-yn-7-en-4-yl ester. Glutaric acid, 2,7-dimethyloct-5-yn-7-en-4-yl heptadecyl ester. Glutaric acid, 2,7-dimethyloct-5-yn-7-en-4-yl dodecyl ester. Glutaric acid, 2,7-dimethyloct-5-yn-7-en-4-yl pentadecyl ester. Glutaric acid, 2,7-dimethyloct-5-yn-7-en-4-yl octyl ester. Glutaric acid, 2,7-dimethyloct-5-yn-7-en-4-yl tridecyl ester. Glutaric acid, 2,7-dimethyloct-5-yn-7-en-4-yl hexadecyl ester. Glutaric acid, 2,7-dimethyloct-5-yn-7-en-4-yl nonyl ester. Glutaric acid, 2,7-dimethyloct-5-yn-7-en-4-yl tetradecyl ester. Glutaric acid, 2,7-dimethyloct-5-yn-7-en-4-yl heptyl ester. Glutaric acid, 2,7-dimethyloct-5-yn-7-en-4-yl hexyl ester. Sebacic acid, 2,7-dimethylocta-7-en-5-yn-4-yl isobutyl ester.

Find more compounds similar to Sebacic acid, 2,7-dimethylocta-7-en-5-yn-4-yl hexyl ester.

Sources

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