Chemical Properties of Hexanoic acid, 3,5,5-trimethyl-, tridec-2-yn-1-yl ester

Hexanoic acid, 3,5,5-trimethyl-, tridec-2-yn-1-yl ester

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InChI
InChI=1S/C22H40O2/c1-6-7-8-9-10-11-12-13-14-15-16-17-24-21(23)18-20(2)19-22(3,4)5/h20H,6-14,17-19H2,1-5H3
InChI Key
OYXBAGBKRSEBOW-UHFFFAOYSA-N
Formula
C22H40O2
SMILES
CCCCCCCCCCC#CCOC(=O)CC(C)CC(C)(C)C
Molecular Weight1
336.55
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Physical Properties

Property Value Unit Source
Δf 103.64 kJ/mol Joback Calculated Property
Δfgas -483.94 kJ/mol Joback Calculated Property
Δfus 47.71 kJ/mol Joback Calculated Property
Δvap 74.19 kJ/mol Joback Calculated Property
log10WS -7.21 Crippen Calculated Property
logPoct/wat 6.526 Crippen Calculated Property
McVol 319.680 ml/mol McGowan Calculated Property
Pc 1042.60 kPa Joback Calculated Property
Inp [2267.00; 2267.00]   Show Hide
Inp 2267.00 NIST
Inp 2267.00 NIST
Tboil 784.38 K Joback Calculated Property
Tc 973.01 K Joback Calculated Property
Tfus 503.38 K Joback Calculated Property
Vc 1.236 m3/kmol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas [985.40; 1090.45] J/mol×K [784.38; 973.01] Show Hide
Cp,gas 985.40 J/mol×K 784.38 Joback Calculated Property
Cp,gas 1005.46 J/mol×K 815.82 Joback Calculated Property
Cp,gas 1024.44 J/mol×K 847.26 Joback Calculated Property
Cp,gas 1042.38 J/mol×K 878.70 Joback Calculated Property
Cp,gas 1059.34 J/mol×K 910.14 Joback Calculated Property
Cp,gas 1075.35 J/mol×K 941.57 Joback Calculated Property
Cp,gas 1090.45 J/mol×K 973.01 Joback Calculated Property

Similar Compounds

3-Cyclopentylpropionic acid, tridec-2-ynyl ester. Glutaric acid, tridec-2-yn-1-yl 3,7-dimethyloctyl ester. Glutaric acid, 2-(cyclohexyl)ethyl tridec-2-yn-1-yl ester. Glutaric acid, tridec-2-yn-1-yl 2,4,4-trimethylpentyl ester. Glutaric acid, 3-methylbutyl tridec-2-yn-1-yl ester. Sebacic acid, isohexyl tridec-2-ynyl ester. Glutaric acid, tridec-2-yn-1-yl 3-methyl-5-methoxypentyl ester. Glutaric acid, tridec-2-yn-1-yl 2-ethylhexyl ester. Glutaric acid, isohexyl tridec-2-ynyl ester. Hexanoic acid, 3,5,5-trimethyl-, 2-methyloct-5-en-4-yl ester. Octanoic acid, tridec-2-ynyl ester. Hexanoic acid, tridec-2-ynyl ester. Succinic acid, tridec-2-yn-1-yl 3-methylpentyl ester. Glutaric acid, tridec-2-yn-1-yl 4-methylpent-2-yl ester. Glutaric acid, tridec-2-yn-1-yl 2-methylpentyl ester.

Find more compounds similar to Hexanoic acid, 3,5,5-trimethyl-, tridec-2-yn-1-yl ester.

Sources

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