Chemical Properties of 5-Bromovaleric acid, 2,6-dimethylnon-1-en-3-yn-5-yl ester

5-Bromovaleric acid, 2,6-dimethylnon-1-en-3-yn-5-yl ester

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InChI
InChI=1S/C16H25BrO2/c1-5-8-14(4)15(11-10-13(2)3)19-16(18)9-6-7-12-17/h14-15H,2,5-9,12H2,1,3-4H3
InChI Key
NSQUUHNKUHSLAD-UHFFFAOYSA-N
Formula
C16H25BrO2
SMILES
C=C(C)C#CC(OC(=O)CCCCBr)C(C)CCC
Molecular Weight1
329.27
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Physical Properties

Property Value Unit Source
Δf 141.45 kJ/mol Joback Calculated Property
Δfgas -214.66 kJ/mol Joback Calculated Property
Δfus 38.75 kJ/mol Joback Calculated Property
Δvap 67.59 kJ/mol Joback Calculated Property
log10WS -5.33 Crippen Calculated Property
logPoct/wat 4.479 Crippen Calculated Property
McVol 248.340 ml/mol McGowan Calculated Property
Pc 1713.19 kPa Joback Calculated Property
Inp [1914.00; 1914.00]   Show Hide
Inp 1914.00 NIST
Inp 1914.00 NIST
Tboil 712.61 K Joback Calculated Property
Tc 916.84 K Joback Calculated Property
Tfus 462.42 K Joback Calculated Property
Vc 0.950 m3/kmol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas [659.89; 745.76] J/mol×K [712.61; 916.84] Show Hide
Cp,gas 659.89 J/mol×K 712.61 Joback Calculated Property
Cp,gas 676.40 J/mol×K 746.65 Joback Calculated Property
Cp,gas 691.98 J/mol×K 780.69 Joback Calculated Property
Cp,gas 706.68 J/mol×K 814.73 Joback Calculated Property
Cp,gas 720.51 J/mol×K 848.76 Joback Calculated Property
Cp,gas 733.53 J/mol×K 882.80 Joback Calculated Property
Cp,gas 745.76 J/mol×K 916.84 Joback Calculated Property

Similar Compounds

6-Bromohexanoic acid, 2,6-dimethylnon-1-en-3-yn-5-yl ester. 4-Bromobutanoic acid, 2,6-dimethylnon-1-en-3--yn-5-yl ester. Valeric acid, 2,6-dimethylnon-1-en-3-yn-5-yl ester. Hexanoic acid, 2,6-dimethylnon-1-en-3-yn-5-yl ester. Sebacic acid, di(2,6-dimethylnon-1-en-3-yn-5-yl) ester. Octanoic acid, 2,6-dimethylnon-1-en-3-yn-5-yl ester. Glutaric acid, di(2,6-dimethylnon-1-en-3-yn-5-yl) ester. Butanoic acid, 2,6-dimethylnon-1-en-3-yn-5-yl ester. Glutaric acid, 3-methylbut-2-yl 2,6-dimethylnon-1-en-3-yn-5-yl ester. 5-Chlorovaleric acid, 2,6-dimethylnon-1-en-3-yn-5-yl ester. Glutaric acid, but-3-yn-2-yl 2,6-dimethylnon-1-en-3-yn-5-yl ester. Sebacic acid, 2,6-dimethylnon-1-en-3-yn-5-yl isobutyl ester. Glutaric acid, hept-2-yl 2,6-dimethylnon-1-en-3-yn-5-yl ester. Glutaric acid, 2,6-dimethylnon-1-en-3-yn-5-yl isobutyl ester. Glutaric acid, 2-methylpent-3-yl 2,6-dimethylnon-1-en-3-yn-5-yl ester.

Find more compounds similar to 5-Bromovaleric acid, 2,6-dimethylnon-1-en-3-yn-5-yl ester.

Sources

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