Chemical Properties of 6-Bromohexanoic acid, 2-methyloct-5-yn-4-yl ester

6-Bromohexanoic acid, 2-methyloct-5-yn-4-yl ester

InChI
InChI=1S/C15H25BrO2/c1-4-5-9-14(12-13(2)3)18-15(17)10-7-6-8-11-16/h13-14H,4,6-8,10-12H2,1-3H3
InChI Key
VLUJDNGBNNOXGI-UHFFFAOYSA-N
Formula
C15H25BrO2
SMILES
CCC#CC(CC(C)C)OC(=O)CCCCCBr
Molecular Weight1
317.26
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Physical Properties

Property Value Unit Source
ΔfusH° 40.34 kJ/mol Joback Calculated Property
logPoct/wat 4.313 Crippen Calculated Property
McVol 238.550 ml/mol McGowan Calculated Property
Inp 1856.00 NIST

Cheméo can also estimate Normal Boiling Point Temperature, Normal melting (fusion) point, Critical Temperature, Critical Pressure, Critical Volume, Enthalpy of formation at standard conditions, Enthalpy of vaporization at standard conditions, Standard Gibbs free energy of formation, Acentric Factor, Ionization energy, Log10 of Water solubility in mol/l for this compound, but they fall outside the models' validated range, so they are not shown here. Open the prediction tool to compute them on demand.

Correlations

Property Value Unit Temperature (K) Source
Cp,gas [336.49; 750.33] 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 A3.70470e+01
Coefficient B1.27426e+00
Coefficient C-6.83260e-04
Coefficient D1.22280e-07
Coefficient E0.00000e+00
Temperature range, min.273.00
Temperature range, max.1000.00
Cp,gas 336.49 J/mol×K 273.00 Calculated Property
Cp,gas 407.75 J/mol×K 353.78 Calculated Property
Cp,gas 471.79 J/mol×K 434.56 Calculated Property
Cp,gas 529.00 J/mol×K 515.33 Calculated Property
Cp,gas 579.75 J/mol×K 596.11 Calculated Property
Cp,gas 624.45 J/mol×K 676.89 Calculated Property
Cp,gas 663.47 J/mol×K 757.67 Calculated Property
Cp,gas 697.19 J/mol×K 838.44 Calculated Property
Cp,gas 726.02 J/mol×K 919.22 Calculated Property
Cp,gas 750.33 J/mol×K 1000.00 Calculated Property

Similar Compounds

5-Bromovaleric acid, 2-methyloct-5-yn-4-yl ester. Hexanoic acid, 2-methyloct-5-yn-4-yl ester. Octanoic acid, 2-methyloct-5-yn-4-yl ester. Undec-10-ynoic acid, 2-methyloct-5-yn-4-yl ester. 4-Bromobutanoic acid, 2-methyl-5-yn-4-yl ester. 6-Bromohexanoic acid, 2,7-dimethyloct-7-en-5-yn-4-yl ester. valeric acid, 2-methyloct-5-yn-4-yl ester. Glutaric acid, di(2-methyloct-5-yn-4-yl) ester. Glutaric acid, hexyl 2-methyloct-5-yn-4-yl ester. Sebacic acid, 2-methyloct-5-yn-4-yl propyl ester. Sebacic acid, 2-methyloct-5-yn-4-yl nonyl ester. Sebacic acid, 2-methyloct-5-yn-4-yl undecyl ester. Sebacic acid, 2-methyloct-5-yn-4-yl octyl ester. Sebacic acid, 2-methyloct-5-yn-4-yl pentyl ester. Sebacic acid, heptyl 2-methyloct-5-yn-4-yl ester.

Find more compounds similar to 6-Bromohexanoic acid, 2-methyloct-5-yn-4-yl ester.

Sources

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