Chemical Properties of Cyclobutanecarboxylic acid, 2-methyloct-5-yn-4-yl ester

Cyclobutanecarboxylic acid, 2-methyloct-5-yn-4-yl ester

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InChI
InChI=1S/C14H22O2/c1-4-5-9-13(10-11(2)3)16-14(15)12-7-6-8-12/h11-13H,4,6-8,10H2,1-3H3
InChI Key
RVJZQJXADXKDGY-UHFFFAOYSA-N
Formula
C14H22O2
SMILES
CCC#CC(CC(C)C)OC(=O)C1CCC1
Molecular Weight1
222.32
Sources

Physical Properties

Property Value Unit Source
Δf 79.65 kJ/mol Joback Calculated Property
Δfgas -248.71 kJ/mol Joback Calculated Property
Δfus 26.91 kJ/mol Joback Calculated Property
Δvap 57.38 kJ/mol Joback Calculated Property
logPoct/wat 3.16 Crippen Calculated Property
Pc 2094.58 kPa Joback Calculated Property
Tboil 615.14 K Joback Calculated Property
Tc 826.07 K Joback Calculated Property
Tfus 410.22 K Joback Calculated Property
Vc 0.74 m3/kg-mol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas 517.21 J/mol×K 615.14 Joback Calculated Property

Molecular Descriptors

Joback and Reid Groups
>CH- 2
-O- (nonring) 1
-CH3 3
#C- 2
-CH2- 2
>C=O (nonring) 1
>CH- (ring) 1
-CH2- (ring) 3

Similar Compounds

Cyclobutanecarboxylic acid, 2,7-dimethyloct-7-en-5-yn-4-yl ester. Valeric acid, 2-methyloct-5-yn-4-yl ester. Cyclobutanecarboxylic acid, hex-4-yn-3-yl ester. Glutaric acid, isobutyl 2-methyloct-5-yn-4-yl ester. Hexanoic acid, 2-methyloct-5-yn-4-yl ester. 2,2-Dimethylpropanoic acid, 2-methyloct-5-yn-4-yl ester. Glutaric acid, di(2-methyloct-5-yn-4-yl) ester. Glutaric acid, butyl 2-methyloct-5-yn-4-yl ester. Glutaric acid, 2-methyloct-5-yn-4-yl propyl ester. Glutaric acid, 3-methylbut-2-yl 2-methyloct-5-yn-4-yl ester. Sebacic acid, isobutyl 2-methyloct-5-yn-4-yl ester. Cyclopropanecarboxylic acid, 2-methyloct-5-yn-4-yl ester. Butanoic acid, 2-methyloct-5-yn-4-yl ester. Glutaric acid, 2-methyloct-5-yn-4-yl pentyl ester. Octanoic acid, 2-methyloct-5-yn-4-yl ester.

Find more compounds similar to Cyclobutanecarboxylic acid, 2-methyloct-5-yn-4-yl ester.

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