Chemical Properties of 5-Bromovaleric acid, hex-4-yn-3-yl ester

5-Bromovaleric acid, hex-4-yn-3-yl ester

InChI
InChI=1S/C11H17BrO2/c1-3-7-10(4-2)14-11(13)8-5-6-9-12/h10H,4-6,8-9H2,1-2H3
InChI Key
LELREPSXQGXCNR-UHFFFAOYSA-N
Formula
C11H17BrO2
SMILES
CC#CC(CC)OC(=O)CCCCBr
Molecular Weight1
261.15
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Physical Properties

Property Value Unit Source
ΔfusH° 33.50 kJ/mol Joback Calculated Property
logPoct/wat 2.897 Crippen Calculated Property
McVol 182.190 ml/mol McGowan Calculated Property
Inp 1601.80 NIST

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Correlations

Property Value Unit Temperature (K) Source
Cp,gas [251.94; 543.43] 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 A4.23650e+01
Coefficient B8.88340e-01
Coefficient C-4.62460e-04
Coefficient D7.51800e-08
Coefficient E0.00000e+00
Temperature range, min.273.00
Temperature range, max.1000.00
Cp,gas 251.94 J/mol×K 273.00 Calculated Property
Cp,gas 302.09 J/mol×K 353.78 Calculated Property
Cp,gas 347.24 J/mol×K 434.56 Calculated Property
Cp,gas 387.63 J/mol×K 515.33 Calculated Property
Cp,gas 423.51 J/mol×K 596.11 Calculated Property
Cp,gas 455.10 J/mol×K 676.89 Calculated Property
Cp,gas 482.65 J/mol×K 757.67 Calculated Property
Cp,gas 506.40 J/mol×K 838.44 Calculated Property
Cp,gas 526.58 J/mol×K 919.22 Calculated Property
Cp,gas 543.43 J/mol×K 1000.00 Calculated Property

Similar Compounds

6-Bromohexanoic acid, hex-4-yn-3-yl ester. valeric acid, hex-4-yn-3-yl ester. 4-Bromobutanoic acid, hex-4-yn-3-yl ester. Hexanoic acid, hex-4-yn-3-yl ester. Sebacic acid, di(hex-4-yn-3-yl) ester. Octanoic acid, hex-4-yn-3-yl ester. Glutaric acid, di(hex-4-yn-3-yl) ester. 5-chlorovaleric acid, hex-4-yn-3-yl ester. Undec-10-ynoic acid, hex-4-yn-3-yl ester. Glutaric acid, hex-4-yn-3-yl isopropyl ester. Glutaric acid, but-3-yn-2-yl hex-4-yn-3-yl ester. Sebacic acid, hex-4-yn-3-yl propyl ester. Glutaric acid, hex-4-yn-3-yl propyl ester. Glutaric acid, hex-4-yn-3-yl pentyl ester. 5-Bromovaleric acid, 2-methyloct-5-yn-4-yl ester.

Find more compounds similar to 5-Bromovaleric acid, hex-4-yn-3-yl ester.

Sources

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