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

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

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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
281.14
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Physical Properties

Property Value Unit Source
Δf 142.12 kJ/mol Joback Calculated Property
Δfgas -38.04 kJ/mol Joback Calculated Property
Δfus 30.75 kJ/mol Joback Calculated Property
Δvap 64.83 kJ/mol Joback Calculated Property
log10WS -4.88 Crippen Calculated Property
logPoct/wat 3.408 Crippen Calculated Property
McVol 186.610 ml/mol McGowan Calculated Property
Pc 2868.87 kPa Joback Calculated Property
Inp [1756.00; 1756.00]   Show Hide
Inp 1756.00 NIST
Inp 1756.00 NIST
Tboil 679.51 K Joback Calculated Property
Tc 924.13 K Joback Calculated Property
Tfus 498.27 K Joback Calculated Property
Vc 0.698 m3/kmol Joback Calculated Property

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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