Chemical Properties of 4-Bromobenzoic acid, 2-methyloct-5-yn-4-yl ester

4-Bromobenzoic acid, 2-methyloct-5-yn-4-yl ester

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InChI
InChI=1S/C16H19BrO2/c1-4-5-6-15(11-12(2)3)19-16(18)13-7-9-14(17)10-8-13/h7-10,12,15H,4,11H2,1-3H3
InChI Key
KOBPOANEYWMGMK-UHFFFAOYSA-N
Formula
C16H19BrO2
SMILES
CCC#CC(CC(C)C)OC(=O)c1ccc(Br)cc1
Molecular Weight1
323.23
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Physical Properties

Property Value Unit Source
Δf 164.94 kJ/mol Joback Calculated Property
Δfgas -105.24 kJ/mol Joback Calculated Property
Δfus 35.00 kJ/mol Joback Calculated Property
Δvap 71.12 kJ/mol Joback Calculated Property
log10WS -5.89 Crippen Calculated Property
logPoct/wat 4.434 Crippen Calculated Property
McVol 228.880 ml/mol McGowan Calculated Property
Pc 2169.38 kPa Joback Calculated Property
Inp [1967.00; 1967.00]   Show Hide
Inp 1967.00 NIST
Inp 1967.00 NIST
Tboil 747.71 K Joback Calculated Property
Tc 982.45 K Joback Calculated Property
Tfus 517.08 K Joback Calculated Property
Vc 0.860 m3/kmol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas [597.87; 675.37] J/mol×K [747.71; 982.45] Show Hide
Cp,gas 597.87 J/mol×K 747.71 Joback Calculated Property
Cp,gas 613.43 J/mol×K 786.83 Joback Calculated Property
Cp,gas 627.86 J/mol×K 825.96 Joback Calculated Property
Cp,gas 641.23 J/mol×K 865.08 Joback Calculated Property
Cp,gas 653.57 J/mol×K 904.21 Joback Calculated Property
Cp,gas 664.94 J/mol×K 943.33 Joback Calculated Property
Cp,gas 675.37 J/mol×K 982.45 Joback Calculated Property

Similar Compounds

3-Bromobenzoic acid, 2-methyloct-5-yn-4-yl ester. 4-Bromobenzoic acid, 2,7-dimethyloct-7-en-5-yn-4-yl ester. 4-Cyanobenzoic acid, 2-methyloct-5-yn-4-yl ester. 2-Bromobenzoic acid, 2-methyloct-5-yn-4-yl ester. Isophthalic acid, di(2-methyloct-5-yn-4-yl) ester. p-Toluic acid, 2-methyloct-5-yn-4-yl ester. 4-Fluorobenzoic acid, 2-methyloct-5-yn-4-yl ester. 4-(Trifluoromethyl)benzoic acid, 2-methyloct-5-yn-4-yl ester. Isophthalic acid, ethyl 2-methyloct-5-yn-4-yl ester. 4-Chlorobenzoic acid, 2-methyloct-5-yn-4-yl ester. 3-Bromobenzoic acid, 2,7-dimethyloct-7-en-5-yn-4-yl ester. 4-Nitrobenzoic acid, 2-methyloct-5-yn-4-yl ester. Isophthalic acid, isobutyl 2-methyloct-5-yn-4-yl ester. Isophthalic acid, 2-methyloct-5-yn-4-yl propyl ester. m-Toluic acid, 2-methyloct-5-yn-4-yl ester.

Find more compounds similar to 4-Bromobenzoic acid, 2-methyloct-5-yn-4-yl ester.

Sources

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