Chemical Properties of 3-Bromobenzoic acid, 2-methyloct-5-yn-4-yl ester

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

InChI
InChI=1S/C16H19BrO2/c1-4-5-9-15(10-12(2)3)19-16(18)13-7-6-8-14(17)11-13/h6-8,11-12,15H,4,10H2,1-3H3
InChI Key
WNXIBONIYPGXFQ-UHFFFAOYSA-N
Formula
C16H19BrO2
SMILES
CCC#CC(CC(C)C)OC(=O)c1cccc(Br)c1
Molecular Weight1
323.23
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Physical Properties

Property Value Unit Source
ΔfusH° 35.00 kJ/mol Joback Calculated Property
IE 9.07 eV Relay (1.0) Calculated Property
logPoct/wat 4.434 Crippen Calculated Property
McVol 228.880 ml/mol McGowan Calculated Property
Inp [1957.00; 1957.00]   Show Hide
Inp 1957.00 NIST
Inp 1957.00 NIST
Tboil 591.43 K Relay (1.0) Calculated Property
Tfus 285.29 K Relay (1.0) Calculated Property

Cheméo can also estimate 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, 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 [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

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

Find more compounds similar to 3-Bromobenzoic acid, 2-methyloct-5-yn-4-yl ester.

Sources

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