Chemical Properties of 2-Bromobenzoic acid, 2,6-dimethylnon-1-en--3-yn-5-yl ester

2-Bromobenzoic acid, 2,6-dimethylnon-1-en--3-yn-5-yl ester

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InChI
InChI=1S/C18H21BrO2/c1-5-8-14(4)17(12-11-13(2)3)21-18(20)15-9-6-7-10-16(15)19/h6-7,9-10,14,17H,2,5,8H2,1,3-4H3
InChI Key
PABXPVAXJDEGIL-UHFFFAOYSA-N
Formula
C18H21BrO2
SMILES
C=C(C)C#CC(OC(=O)c1ccccc1Br)C(C)CCC
Molecular Weight1
349.26
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Physical Properties

Property Value Unit Source
Δf 261.07 kJ/mol Joback Calculated Property
Δfgas -30.88 kJ/mol Joback Calculated Property
Δfus 37.59 kJ/mol Joback Calculated Property
Δvap 74.98 kJ/mol Joback Calculated Property
log10WS -6.58 Crippen Calculated Property
logPoct/wat 4.990 Crippen Calculated Property
McVol 252.760 ml/mol McGowan Calculated Property
Pc 1903.58 kPa Joback Calculated Property
Inp 2079.00 NIST
Tboil 790.03 K Joback Calculated Property
Tc 1024.16 K Joback Calculated Property
Tfus 523.90 K Joback Calculated Property
Vc 0.954 m3/kmol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas [681.94; 760.67] J/mol×K [790.03; 1024.16] Show Hide
Cp,gas 681.94 J/mol×K 790.03 Joback Calculated Property
Cp,gas 697.71 J/mol×K 829.05 Joback Calculated Property
Cp,gas 712.35 J/mol×K 868.07 Joback Calculated Property
Cp,gas 725.90 J/mol×K 907.09 Joback Calculated Property
Cp,gas 738.43 J/mol×K 946.12 Joback Calculated Property
Cp,gas 750.00 J/mol×K 985.14 Joback Calculated Property
Cp,gas 760.67 J/mol×K 1024.16 Joback Calculated Property

Similar Compounds

3-Bromobenzoic acid, 2,6-dimethylnon-1-en-3-yn-5-yl ester. 4-Bromobenzoic acid, 2,6-dimethylnon-1-en-3-yn-5-yl ester. 4-Cyanobenzoic acid, 2,6-dimethylnon-1-en-3-yn-5-yl ester. 4-Nitrobenzoic acid, 2,6-dimethylnon-1-en-3-yn-5-yl ester. p-Toluic acid, 2,6-dimethylnon-1-en-3-yn-5-yl ester. Isophthalic acid, di(2,6-dimethylnon-1-en-3-yn-5-yl) ester. p-Anisic acid, 2,6-dimethylnon-1-en-3-yn-5-yl ester. Isophthalic acid, 2,6-dimethylnon-1-en-3-yn-5-yl ethyl ester. 4-(Ttifluoromethyl)benzoic acid, 2,6-dimethylnon-1-en-3-yn-5-yl ester. m-Toluic acid, 2,6-dimethylnon-1-en-3-yn-5-yl ester. 4-Chlorobenzoic acid, 2,6-dimethylnon-1-en-3-yn-5-yl ester. 2-Bromobenzoic acid, 2,7-dimethyloct-7-en--5-yn-4-yl ester. Isophthalic acid, 2,6-dimethylnon-1-en-3-yn-5-yl propyl ester. 1-Naphthoic acid, 2,6-dimethylnon-1-en-3-yn-5-yl ester. 4-Fluorobenzoic acid, 2,6-dimethylnon-1-en-3-yn-5-yl ester.

Find more compounds similar to 2-Bromobenzoic acid, 2,6-dimethylnon-1-en--3-yn-5-yl ester.

Sources

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