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

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

InChI
InChI=1S/C17H27BrO2/c1-5-9-15(4)16(12-11-14(2)3)20-17(19)10-7-6-8-13-18/h15-16H,2,5-10,13H2,1,3-4H3
InChI Key
MARGMJPGEWDHQB-UHFFFAOYSA-N
Formula
C17H27BrO2
SMILES
C=C(C)C#CC(OC(=O)CCCCCBr)C(C)CCC
Molecular Weight1
343.30
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Physical Properties

Property Value Unit Source
ΔfusH° 42.93 kJ/mol Joback Calculated Property
logPoct/wat 4.869 Crippen Calculated Property
McVol 262.430 ml/mol McGowan Calculated Property
Inp [1996.00; 1996.00]   Show Hide
Inp 1996.00 NIST
Inp 1996.00 NIST

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Correlations

Property Value Unit Temperature (K) Source
Cp,gas [369.26; 824.73] J/mol×K [273.00; 1000.00] Joback Predicted correlation Show Hide
EquationY = A + B·T + C·T² + D·T³ + E·T⁴
Y is Cp,gas in J/mol×K, T in K
Coefficient A3.25470e+01
Coefficient B1.44416e+00
Coefficient C-8.17260e-04
Coefficient D1.65280e-07
Coefficient E0.00000e+00
Temperature range, min.273.00
Temperature range, max.1000.00
Cp,gas 369.26 J/mol×K 273.00 Calculated Property
Cp,gas 448.49 J/mol×K 353.78 Calculated Property
Cp,gas 519.35 J/mol×K 434.56 Calculated Property
Cp,gas 582.35 J/mol×K 515.33 Calculated Property
Cp,gas 638.03 J/mol×K 596.11 Calculated Property
Cp,gas 686.89 J/mol×K 676.89 Calculated Property
Cp,gas 729.47 J/mol×K 757.67 Calculated Property
Cp,gas 766.29 J/mol×K 838.44 Calculated Property
Cp,gas 797.87 J/mol×K 919.22 Calculated Property
Cp,gas 824.73 J/mol×K 1000.00 Calculated Property

Similar Compounds

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

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

Sources

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