Chemical Properties of Hexanoic acid, 3,5,5-trimethyl-, 2-methyloct-5-en-4-yl ester

Hexanoic acid, 3,5,5-trimethyl-, 2-methyloct-5-en-4-yl ester

InChI
InChI=1S/C18H32O2/c1-8-9-10-16(11-14(2)3)20-17(19)12-15(4)13-18(5,6)7/h14-16H,8,11-13H2,1-7H3
InChI Key
VHJZYHXXUCMOAN-UHFFFAOYSA-N
Formula
C18H32O2
SMILES
CCC#CC(CC(C)C)OC(=O)CC(C)CC(C)(C)C
Molecular Weight1
280.45
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Physical Properties

Property Value Unit Source
Δfus 30.30 kJ/mol Joback Calculated Property
logPoct/wat 4.820 Crippen Calculated Property
McVol 263.320 ml/mol McGowan Calculated Property
Inp [1680.00; 1680.00]   Show Hide
Inp 1680.00 NIST
Inp 1680.00 NIST

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Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas [750.32; 853.30] J/mol×K [691.98; 887.88] Show Hide
Cp,gas 750.32 J/mol×K 691.98 Joback Calculated Property
Cp,gas 770.05 J/mol×K 724.63 Joback Calculated Property
Cp,gas 788.70 J/mol×K 757.28 Joback Calculated Property
Cp,gas 806.31 J/mol×K 789.93 Joback Calculated Property
Cp,gas 822.92 J/mol×K 822.58 Joback Calculated Property
Cp,gas 838.57 J/mol×K 855.23 Joback Calculated Property
Cp,gas 853.30 J/mol×K 887.88 Joback Calculated Property

Similar Compounds

Hexanoic acid, 2-methyloct-5-yn-4-yl ester. 3-cyclopentylpropionic acid, 2-methyloct-5-yn-4-yl ester. Octanoic acid, 2-methyloct-5-yn-4-yl ester. Hexanoic acid, 3,5,5-trimethyl-, 2,7-dimethyloct-1-en-3-yn-5-yl ester. Undec-10-ynoic acid, 2-methyloct-5-yn-4-yl ester. valeric acid, 2-methyloct-5-yn-4-yl ester. Sebacic acid, butyl 2-methyloct-5-yn-4-yl ester. Sebacic acid, 2-methyloct-5-yn-4-yl propyl ester. Hexanoic acid, 3,5,5-trimethyl-, hex-4-yn-3-yl ester. Sebacic acid, 2-methyloct-5-yn-4-yl pentyl ester. Sebacic acid, 2-methyloct-5-yn-4-yl nonyl ester. Sebacic acid, heptyl 2-methyloct-5-yn-4-yl ester. Sebacic acid, 2-methyloct-5-yn-4-yl octyl ester. Sebacic acid, 2-methyloct-5-yn-4-yl undecyl ester. Glutaric acid, di(2-methyloct-5-yn-4-yl) ester.

Find more compounds similar to Hexanoic acid, 3,5,5-trimethyl-, 2-methyloct-5-en-4-yl ester.

Sources

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