Chemical Properties of 4-Bromobutanoic acid, 2-methyl-5-yn-4-yl ester

4-Bromobutanoic acid, 2-methyl-5-yn-4-yl ester

InChI
InChI=1S/C13H21BrO2/c1-4-5-7-12(10-11(2)3)16-13(15)8-6-9-14/h11-12H,4,6,8-10H2,1-3H3
InChI Key
NZLLUAVRDDSYOA-UHFFFAOYSA-N
Formula
C13H21BrO2
SMILES
CCC#CC(CC(C)C)OC(=O)CCCBr
Molecular Weight1
289.21
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Physical Properties

Property Value Unit Source
ΔfusH° 35.16 kJ/mol Joback Calculated Property
logPoct/wat 3.533 Crippen Calculated Property
McVol 210.370 ml/mol McGowan Calculated Property
Inp 1638.00 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 [518.35; 600.44] J/mol×K [629.54; 833.22] Show Hide
Cp,gas 518.35 J/mol×K 629.54 Joback Calculated Property
Cp,gas 534.14 J/mol×K 663.49 Joback Calculated Property
Cp,gas 549.05 J/mol×K 697.43 Joback Calculated Property
Cp,gas 563.11 J/mol×K 731.38 Joback Calculated Property
Cp,gas 576.35 J/mol×K 765.33 Joback Calculated Property
Cp,gas 588.78 J/mol×K 799.27 Joback Calculated Property
Cp,gas 600.44 J/mol×K 833.22 Joback Calculated Property

Similar Compounds

5-Bromovaleric acid, 2-methyloct-5-yn-4-yl ester. Butanoic acid, 2-methyloct-5-yn-4-yl ester. Glutaric acid, di(2-methyloct-5-yn-4-yl) ester. valeric acid, 2-methyloct-5-yn-4-yl ester. 6-Bromohexanoic acid, 2-methyloct-5-yn-4-yl ester. Succinic acid, di(2-methyloct-5-yn-4-yl) ester. 4-Bromobutanoic acid, 2,7-dimethyloct-7-en-5-yn-4-yl ester. Hexanoic acid, 2-methyloct-5-yn-4-yl ester. Glutaric acid, 2-methyloct-5-yn-4-yl propyl ester. Glutaric acid, butyl 2-methyloct-5-yn-4-yl ester. Octanoic acid, 2-methyloct-5-yn-4-yl ester. Glutaric acid, 2-methyloct-5-yn-4-yl pentyl ester. Succinic acid, hex-4-yn-3-yl 2-methyloct-5-yn-4-yl ester. Glutaric acid, isobutyl 2-methyloct-5-yn-4-yl ester. Glutaric acid, isohexyl 2-methyloct-5-yn-4-yl ester.

Find more compounds similar to 4-Bromobutanoic acid, 2-methyl-5-yn-4-yl ester.

Sources

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