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

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

InChI
InChI=1S/C15H23BrO2/c1-12(2)8-9-14(11-13(3)4)18-15(17)7-5-6-10-16/h13-14H,1,5-7,10-11H2,2-4H3
InChI Key
WWHSZPVJDMJJRF-UHFFFAOYSA-N
Formula
C15H23BrO2
SMILES
C=C(C)C#CC(CC(C)C)OC(=O)CCCCBr
Molecular Weight1
315.25
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Physical Properties

Property Value Unit Source
ΔfusH° 37.75 kJ/mol Joback Calculated Property
logPoct/wat 4.089 Crippen Calculated Property
McVol 234.250 ml/mol McGowan Calculated Property
Inp 1835.50 NIST

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Correlations

Property Value Unit Temperature (K) Source
Cp,gas [326.83; 721.55] 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 A3.43650e+01
Coefficient B1.25416e+00
Coefficient C-7.08460e-04
Coefficient D1.41480e-07
Coefficient E0.00000e+00
Temperature range, min.273.00
Temperature range, max.1000.00
Cp,gas 326.83 J/mol×K 273.00 Calculated Property
Cp,gas 395.65 J/mol×K 353.78 Calculated Property
Cp,gas 457.19 J/mol×K 434.56 Calculated Property
Cp,gas 511.89 J/mol×K 515.33 Calculated Property
Cp,gas 560.20 J/mol×K 596.11 Calculated Property
Cp,gas 602.57 J/mol×K 676.89 Calculated Property
Cp,gas 639.44 J/mol×K 757.67 Calculated Property
Cp,gas 671.26 J/mol×K 838.44 Calculated Property
Cp,gas 698.48 J/mol×K 919.22 Calculated Property
Cp,gas 721.54 J/mol×K 1000.00 Calculated Property

Similar Compounds

6-Bromohexanoic acid, 2,7-dimethyloct-7-en-5-yn-4-yl ester. 4-Bromobutanoic acid, 2,7-dimethyloct-7-en-5-yn-4-yl ester. Valeric acid, 2,7-dimethyloct-7-en-5-yn-4-yl ester. Glutaric acid, di(2,7-dimethyloct-5-yn-7-en-4-yl) ester. Butanoic acid, 2,7-dimethyloct-7-en-5-yn-4-yl ester. Hexanoic acid, 2,7-dimethyloct-7-en-5-yn-4-yl ester. 5-chlorovaleric acid, 2,7-dimethylocty-7-en-5-yn-4-yl ester. Sebacic acid, di(2,7-dimethylocta-7-en-5-yn-4-yl) ester. Octanoic acid, 2,7-dimethyloct-7-en-5-yn-4-yl ester. 5-Bromovaleric acid, 2-methyloct-5-yn-4-yl ester. Glutaric acid, 2,7-dimethyloct-5-yn-7-en-4-yl propyl ester. Undec-10-ynoic acid, 2,7-dimethyloct-1-en-3-yn-5-yl ester. Glutaric acid, butyl 2,7-dimethyloct-5-yn-7-en-4-yl ester. Glutaric acid, 2,7-dimethyloct-5-yn-7-en-4-yl pentyl ester. Glutaric acid, 2,7-dimethyloct-5-yn-7-en-4-yl isobutyl ester.

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

Sources

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