Chemical Properties of 4-Bromobutanoic acid, 2-methyl-5-yn-4-yl ester

4-Bromobutanoic acid, 2-methyl-5-yn-4-yl ester

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InChI
InChI=1S/C13H21BrO2/c1-4-5-7-12(10-11(2)3)16-13(15)8-6-9-14/h11-12H,4,6,8-10H2,1-3H3
InChI Key
NZLLUAVRDDSYOA-UHFFFAOYSA-N
Formula
C13H21BrO2
SMILES
CCC#CC(CC(C)C)OC(=O)CCCBr
Molecular Weight1
289.21
Sources

Physical Properties

Property Value Unit Source
Δf 36.90 kJ/mol Joback Calculated Property
Δfgas -268.38 kJ/mol Joback Calculated Property
Δfus 33.57 kJ/mol Joback Calculated Property
Δvap 61.50 kJ/mol Joback Calculated Property
logPoct/wat 3.53 Crippen Calculated Property
Pc 2113.89 kPa Joback Calculated Property
Tboil 647.41 K Joback Calculated Property
Tc 853.18 K Joback Calculated Property
Tfus 444.33 K Joback Calculated Property
Vc 0.80 m3/kg-mol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas 523.54 J/mol×K 647.41 Joback Calculated Property

Molecular Descriptors

Joback and Reid Groups
>CH- 2
-O- (nonring) 1
-CH3 3
#C- 2
-CH2- 5
>C=O (nonring) 1
-Br 1

Similar Compounds

Butanoic acid, 2-methyloct-5-yn-4-yl ester. Valeric acid, 2-methyloct-5-yn-4-yl ester. 6-Bromohexanoic acid, 2-methyloct-5-yn-4-yl ester. Hexanoic acid, 2-methyloct-5-yn-4-yl ester. 4-Bromobutanoic acid, 2,7-dimethyloct-7-en-5-yn-4-yl ester. Glutaric acid, 2-methyloct-5-yn-4-yl propyl ester. Glutaric acid, di(2-methyloct-5-yn-4-yl) ester. Glutaric acid, butyl 2-methyloct-5-yn-4-yl ester. Succinic acid, hex-4-yn-3-yl 2-methyloct-5-yn-4-yl ester. Glutaric acid, 2-methyloct-5-yn-4-yl pentyl ester. Succinic acid, di(2-methyloct-5-yn-4-yl) ester. Octanoic acid, 2-methyloct-5-yn-4-yl ester. Sebacic acid, 2-methyloct-5-yn-4-yl propyl ester. Sebacic acid, butyl 2-methyloct-5-yn-4-yl ester. 2,2-Dimethylpropanoic acid, 2-methyloct-5-yn-4-yl ester.

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

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