Chemical Properties of 4-Bromobutanoic acid, 2,7-dimethyloct-7-en-5-yn-4-yl ester

4-Bromobutanoic acid, 2,7-dimethyloct-7-en-5-yn-4-yl ester

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InChI
InChI=1S/C14H21BrO2/c1-11(2)7-8-13(10-12(3)4)17-14(16)6-5-9-15/h12-13H,1,5-6,9-10H2,2-4H3
InChI Key
BHOIDGBQHUREKR-UHFFFAOYSA-N
Formula
C14H21BrO2
SMILES
C=C(C)C#CC(CC(C)C)OC(=O)CCCBr
Molecular Weight1
301.22
Sources

Physical Properties

Property Value Unit Source
Δf 124.61 kJ/mol Joback Calculated Property
Δfgas -173.38 kJ/mol Joback Calculated Property
Δfus 33.57 kJ/mol Joback Calculated Property
Δvap 63.14 kJ/mol Joback Calculated Property
logPoct/wat 3.70 Crippen Calculated Property
Pc 2021.76 kPa Joback Calculated Property
Tboil 666.85 K Joback Calculated Property
Tc 876.54 K Joback Calculated Property
Tfus 439.88 K Joback Calculated Property
Vc 0.84 m3/kg-mol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas 552.62 J/mol×K 666.85 Joback Calculated Property

Molecular Descriptors

Joback and Reid Groups
>CH- 2
-O- (nonring) 1
>C=O (nonring) 1
=CH2 1
#C- 2
-CH2- 4
=C< 1
-CH3 3
-Br 1

Similar Compounds

Butanoic acid, 2,7-dimethyloct-7-en-5-yn-4-yl ester. Valeric acid, 2,7-dimethyloct-7-en-5-yn-4-yl ester. 5-Bromovaleric acid, 2,7-dimethyloct-7-en-5-yn-4-yl ester. 6-Bromohexanoic acid, 2,7-dimethyloct-7-en-5-yn-4-yl ester. Hexanoic acid, 2,7-dimethyloct-7-en-5-yn-4-yl ester. Glutaric acid, butyl 2,7-dimethyloct-5-yn-7-en-4-yl ester. Glutaric acid, di(2,7-dimethyloct-5-yn-7-en-4-yl) ester. Glutaric acid, 2,7-dimethyloct-5-yn-7-en-4-yl propyl ester. 5-Chlorovaleric acid, 2,7-dimethylocty-7-en-5-yn-4-yl ester. Glutaric acid, 2,7-dimethyloct-5-yn-7-en-4-yl pentyl ester. 2,2-Dimethylpropanoic acid, 2,7-dimethyloct-7-en-5-yn-4-yl ester. Octanoic acid, 2,7-dimethyloct-7-en-5-yn-4-yl ester. Sebacic acid, butyl 2,7-dimethylocta-7-en-5-yn-4-yl ester. Sebacic acid, di(2,7-dimethylocta-7-en-5-yn-4-yl) ester. Glutaric acid, 2,7-dimethyloct-5-yn-7-en-4-yl isohexyl ester.

Find more compounds similar to 4-Bromobutanoic acid, 2,7-dimethyloct-7-en-5-yn-4-yl ester.

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