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

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
ΔfusH° 37.59 kJ/mol Joback Calculated Property
logPoct/wat 4.990 Crippen Calculated Property
McVol 252.760 ml/mol McGowan Calculated Property
Inp 2079.00 NIST
Tboil 611.24 K Relay (1.0) Calculated Property

Cheméo can also estimate Normal melting (fusion) point, 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, Ionization energy, 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 [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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