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

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

InChI
InChI=1S/C13H13BrO2/c1-3-5-12(4-2)16-13(15)10-6-8-11(14)9-7-10/h6-9,12H,4H2,1-2H3
InChI Key
JJVRBDULJATJQH-UHFFFAOYSA-N
Formula
C13H13BrO2
SMILES
CC#CC(CC)OC(=O)c1ccc(Br)cc1
Molecular Weight1
281.15
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Physical Properties

Property Value Unit Source
ΔfusH° 30.75 kJ/mol Joback Calculated Property
IE 9.02 eV Relay (1.0) Calculated Property
logPoct/wat 3.408 Crippen Calculated Property
McVol 186.610 ml/mol McGowan Calculated Property
Inp [1756.00; 1756.00]   Show Hide
Inp 1756.00 NIST
Inp 1756.00 NIST
Tfus 332.52 K Relay (1.0) Calculated Property

Cheméo can also estimate Normal Boiling Point Temperature, 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 [440.47; 509.37] J/mol×K [679.51; 924.13] Show Hide
Cp,gas 440.47 J/mol×K 679.51 Joback Calculated Property
Cp,gas 454.32 J/mol×K 720.28 Joback Calculated Property
Cp,gas 467.17 J/mol×K 761.05 Joback Calculated Property
Cp,gas 479.06 J/mol×K 801.82 Joback Calculated Property
Cp,gas 490.04 J/mol×K 842.59 Joback Calculated Property
Cp,gas 500.13 J/mol×K 883.36 Joback Calculated Property
Cp,gas 509.37 J/mol×K 924.13 Joback Calculated Property

Similar Compounds

3-Bromobenzoic acid, hex-4-yn-3-yl ester. 2-Bromobenzoic acid, hex-4-yn-3-yl ester. 4-Cyanobenzoic acid, hex-4-yn-3-yl ester. Isophthalic acid, di(hex-4-yn-3-yl) ester. 4-Fluorobenzoic acid, hex-4-yn-3-yl ester. 4-(Trifluoromethyl)benzoic acid, hex-4-yn-3-yl ester. p-Toluic acid, hex-4-yn-3-yl ester. 4-Chlorobenzoic acid, hex-4-yn-3-yl ester. Isophthalic acid, ethyl hex-4-yn-3-yl ester. Isophthalic acid, hex-4-yn-3-yl propyl ester. 4-Nitrobenzoic acid, hex-4-yn-3-yl ester. p-Anisic acid, hex-4-yn-3-yl ester. 1-Naphthoic acid, hex-4-yn-3-yl ester. Isophthalic acid, hex-4-yn-3-yl isobutyl ester. 3-Fluorobenzoic acid, hex-4-yn-3-yl ester.

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

Sources

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