Chemical Properties of 6-Bromohexanoic acid, hex-4-yn-3-yl ester

6-Bromohexanoic acid, hex-4-yn-3-yl ester

InChI
InChI=1S/C12H19BrO2/c1-3-8-11(4-2)15-12(14)9-6-5-7-10-13/h11H,4-7,9-10H2,1-2H3
InChI Key
JRYXFDQXWHHUQM-UHFFFAOYSA-N
Formula
C12H19BrO2
SMILES
CC#CC(CC)OC(=O)CCCCCBr
Molecular Weight1
275.19
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Physical Properties

Property Value Unit Source
ΔfusH° 34.51 kJ/mol Joback Calculated Property
logPoct/wat 3.287 Crippen Calculated Property
McVol 196.280 ml/mol McGowan Calculated Property
Inp 1663.00 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.

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas [472.16; 548.88] J/mol×K [624.97; 829.86] Show Hide
Cp,gas 472.16 J/mol×K 624.97 Joback Calculated Property
Cp,gas 486.76 J/mol×K 659.12 Joback Calculated Property
Cp,gas 500.61 J/mol×K 693.27 Joback Calculated Property
Cp,gas 513.73 J/mol×K 727.42 Joback Calculated Property
Cp,gas 526.14 J/mol×K 761.57 Joback Calculated Property
Cp,gas 537.84 J/mol×K 795.71 Joback Calculated Property
Cp,gas 548.88 J/mol×K 829.86 Joback Calculated Property

Similar Compounds

5-Bromovaleric 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. Undec-10-ynoic acid, hex-4-yn-3-yl ester. Sebacic acid, hex-4-yn-3-yl propyl ester. valeric acid, hex-4-yn-3-yl ester. Glutaric acid, hept-2-yl hex-4-yn-3-yl ester. Glutaric acid, dec-2-yl hex-4-yn-3-yl ester. Glutaric acid, hex-4-yn-3-yl hexyl ester. Glutaric acid, heptyl hex-4-yn-3-yl ester. Glutaric acid, hex-4-yn-3-yl 2-hexyl ester. 4-Bromobutanoic acid, hex-4-yn-3-yl ester. Glutaric acid, decyl hex-4-yn-3-yl ester. Glutaric acid, hex-4-yn-3-yl octyl ester.

Find more compounds similar to 6-Bromohexanoic acid, hex-4-yn-3-yl ester.

Sources

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