Chemical Properties of 4-Bromobenzoic acid, but-3-yn-2-yl ester

4-Bromobenzoic acid, but-3-yn-2-yl ester

InChI
InChI=1S/C11H9BrO2/c1-3-8(2)14-11(13)9-4-6-10(12)7-5-9/h1,4-8H,2H3
InChI Key
TVVQBKBOFMPSIR-UHFFFAOYSA-N
Formula
C11H9BrO2
SMILES
C#CC(C)OC(=O)c1ccc(Br)cc1
Molecular Weight1
253.09
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Physical Properties

Property Value Unit Source
ΔfusH° 25.42 kJ/mol Joback Calculated Property
IE 9.35 eV Relay (1.0) Calculated Property
logPoct/wat 2.628 Crippen Calculated Property
McVol 158.430 ml/mol McGowan Calculated Property
Tboil 548.04 K Relay (1.0) Calculated Property
Tfus 334.84 K Relay (1.0) Calculated Property

Cheméo can also estimate 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, 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 [343.42; 402.22] J/mol×K [614.87; 858.99] Show Hide
Cp,gas 343.42 J/mol×K 614.87 Joback Calculated Property
Cp,gas 355.28 J/mol×K 655.56 Joback Calculated Property
Cp,gas 366.25 J/mol×K 696.24 Joback Calculated Property
Cp,gas 376.39 J/mol×K 736.93 Joback Calculated Property
Cp,gas 385.74 J/mol×K 777.61 Joback Calculated Property
Cp,gas 394.33 J/mol×K 818.30 Joback Calculated Property
Cp,gas 402.22 J/mol×K 858.99 Joback Calculated Property

Similar Compounds

3-Bromobenzoic acid, but-3-yn-2-yl ester. 2-Bromobenzoic acid, but-3-yn-2-yl ester. 4-(Trifluoromethyl)benzoic acid, but-3-yn-2-yl ester. 4-Fluorobenzoic acid, but-3-yn-2-yl ester. 4-Chlorobenzoic acid, but-3-yn-2-yl ester. Isophthalic acid, di(but-3-yn-2-yl) ester. p-Toluic acid, but-3-yn-2-yl ester. Benzoic acid, 4-bromo-, ethyl ester. 4-Bromobenzoic acid, hex-4-yn-3-yl ester. 4-Nitrobenzoic acid, but-3-yn-2-yl ester. m-Toluic acid, but-3-yn-2-yl ester. 3-Fluorobenzoic acid, but-3-yn-2-yl ester. Isophthalic acid, but-3-yn-2-yl propyl ester. 4-Ethylbenzoic acid, but-3-yn-2-yl ester. 2-Fluorobenzoic acid, but-3-yn-2-yl ester.

Find more compounds similar to 4-Bromobenzoic acid, but-3-yn-2-yl ester.

Sources

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