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

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

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InChI
InChI=1S/C11H9BrO2/c1-3-8(2)14-11(13)9-5-4-6-10(12)7-9/h1,4-8H,2H3
InChI Key
MYMIMMHESYRMIQ-UHFFFAOYSA-N
Formula
C11H9BrO2
SMILES
C#CC(C)OC(=O)c1cccc(Br)c1
Molecular Weight1
253.09
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Physical Properties

Property Value Unit Source
Δf 145.55 kJ/mol Joback Calculated Property
Δfgas 22.84 kJ/mol Joback Calculated Property
Δfus 25.42 kJ/mol Joback Calculated Property
Δvap 58.08 kJ/mol Joback Calculated Property
log10WS -4.04 Crippen Calculated Property
logPoct/wat 2.628 Crippen Calculated Property
McVol 158.430 ml/mol McGowan Calculated Property
Pc 3513.74 kPa Joback Calculated Property
Inp [1514.00; 1514.00]   Show Hide
Inp 1514.00 NIST
Inp 1514.00 NIST
Tboil 614.87 K Joback Calculated Property
Tc 858.99 K Joback Calculated Property
Tfus 416.60 K Joback Calculated Property
Vc 0.586 m3/kmol Joback Calculated Property

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

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

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

Sources

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