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

4-Bromobutanoic acid, hex-4-yn-3-yl ester

InChI
InChI=1S/C10H15BrO2/c1-3-6-9(4-2)13-10(12)7-5-8-11/h9H,4-5,7-8H2,1-2H3
InChI Key
FFPLKCIMJWWPHZ-UHFFFAOYSA-N
Formula
C10H15BrO2
SMILES
CC#CC(CC)OC(=O)CCCBr
Molecular Weight1
247.13
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Physical Properties

Property Value Unit Source
ΔfH°gas -286.37 kJ/mol Relay (1.0) Calculated Property
ΔfusH° 29.33 kJ/mol Joback Calculated Property
ΔvapH° 69.98 kJ/mol Relay (1.0) Calculated Property
logPoct/wat 2.507 Crippen Calculated Property
McVol 168.100 ml/mol McGowan Calculated Property
Inp [1453.00; 1453.00]   Show Hide
Inp 1453.00 NIST
Inp 1453.00 NIST

Cheméo can also estimate Normal Boiling Point Temperature, Normal melting (fusion) point, Critical Temperature, Critical Pressure, Critical Volume, 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 [375.02; 443.99] J/mol×K [579.21; 790.63] Show Hide
Cp,gas 375.02 J/mol×K 579.21 Joback Calculated Property
Cp,gas 388.13 J/mol×K 614.45 Joback Calculated Property
Cp,gas 400.58 J/mol×K 649.68 Joback Calculated Property
Cp,gas 412.37 J/mol×K 684.92 Joback Calculated Property
Cp,gas 423.53 J/mol×K 720.16 Joback Calculated Property
Cp,gas 434.07 J/mol×K 755.40 Joback Calculated Property
Cp,gas 443.99 J/mol×K 790.63 Joback Calculated Property

Similar Compounds

Butanoic acid, hex-4-yn-3-yl ester. 5-Bromovaleric acid, hex-4-yn-3-yl ester. Glutaric acid, di(hex-4-yn-3-yl) ester. Glutaric acid, but-3-yn-2-yl hex-4-yn-3-yl ester. Glutaric acid, hex-4-yn-3-yl isopropyl ester. 6-Bromohexanoic acid, hex-4-yn-3-yl ester. valeric acid, hex-4-yn-3-yl ester. Glutaric acid, hex-4-yn-3-yl propyl ester. Glutaric acid, ethyl 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, hex-4-yn-3-yl isobutyl ester. Glutaric acid, butyl hex-4-yn-3-yl ester. Glutaric acid, hex-4-yn-3-yl neopentyl ester.

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

Sources

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