Chemical Properties of 5-Bromovaleric acid, but-3-yn-2-yl ester

5-Bromovaleric acid, but-3-yn-2-yl ester

InChI
InChI=1S/C9H13BrO2/c1-3-8(2)12-9(11)6-4-5-7-10/h1,8H,4-7H2,2H3
InChI Key
QQDZXNCLKIJSHT-UHFFFAOYSA-N
Formula
C9H13BrO2
SMILES
C#CC(C)OC(=O)CCCCBr
Molecular Weight1
233.10
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Physical Properties

Property Value Unit Source
ΔfH°gas -281.37 kJ/mol Relay (1.0) Calculated Property
ΔfusH° 28.17 kJ/mol Joback Calculated Property
ΔvapH° 68.95 kJ/mol Relay (1.0) Calculated Property
logPoct/wat 2.116 Crippen Calculated Property
McVol 154.010 ml/mol McGowan Calculated Property
Inp 1368.90 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 [325.77; 388.63] J/mol×K [519.58; 721.12] Show Hide
Cp,gas 325.77 J/mol×K 519.58 Joback Calculated Property
Cp,gas 337.82 J/mol×K 553.17 Joback Calculated Property
Cp,gas 349.21 J/mol×K 586.76 Joback Calculated Property
Cp,gas 359.97 J/mol×K 620.35 Joback Calculated Property
Cp,gas 370.11 J/mol×K 653.94 Joback Calculated Property
Cp,gas 379.65 J/mol×K 687.53 Joback Calculated Property
Cp,gas 388.63 J/mol×K 721.12 Joback Calculated Property

Similar Compounds

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

Find more compounds similar to 5-Bromovaleric acid, but-3-yn-2-yl ester.

Sources

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