Chemical Properties of 3-Bromobenzoic acid, 2,7-dimethyloct-7-en-5-yn-4-yl ester

3-Bromobenzoic acid, 2,7-dimethyloct-7-en-5-yn-4-yl ester

InChI
InChI=1S/C17H19BrO2/c1-12(2)8-9-16(10-13(3)4)20-17(19)14-6-5-7-15(18)11-14/h5-7,11,13,16H,1,10H2,2-4H3
InChI Key
GPBCBMUFVGTTNL-UHFFFAOYSA-N
Formula
C17H19BrO2
SMILES
C=C(C)C#CC(CC(C)C)OC(=O)c1cccc(Br)c1
Molecular Weight1
335.24
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Physical Properties

Property Value Unit Source
ΔfusH° 35.00 kJ/mol Joback Calculated Property
IE 8.87 eV Relay (1.0) Calculated Property
logPoct/wat 4.600 Crippen Calculated Property
McVol 238.670 ml/mol McGowan Calculated Property
Inp 2005.00 NIST
Tboil 596.62 K Relay (1.0) Calculated Property
Tfus 312.36 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 [626.81; 703.95] J/mol×K [767.15; 1005.46] Show Hide
Cp,gas 626.81 J/mol×K 767.15 Joback Calculated Property
Cp,gas 642.31 J/mol×K 806.87 Joback Calculated Property
Cp,gas 656.68 J/mol×K 846.59 Joback Calculated Property
Cp,gas 669.97 J/mol×K 886.31 Joback Calculated Property
Cp,gas 682.24 J/mol×K 926.02 Joback Calculated Property
Cp,gas 693.54 J/mol×K 965.74 Joback Calculated Property
Cp,gas 703.95 J/mol×K 1005.46 Joback Calculated Property

Similar Compounds

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. 3-Bromobenzoic acid, 2-methyloct-5-yn-4-yl ester. 4-Cyanobenzoic acid, 2,7-dimethyloct-7-en-5-yn-4-yl ester. Isophthalic acid, di(2,7-dimethyloct-7-en-5-yn-4-yl) ester. Isophthalic acid, 2,7-dimethyloct-7-en-5-yn-4-yl ethyl ester. 3-Bromobenzoic acid, 2,6-dimethylnon-1-en-3-yn-5-yl ester. 4-(Trifluoromethyl)benzoic acid, 2,7-dimethyloct-7-en-5-yn-4-yl ester. Isophthalic acid, 2,7-dimethyloct-7-en-5-yn-4-yl isobutyl ester. 2-Bromobenzoic acid, 2-methyloct-5-yn-4-yl ester. 4-Bromobenzoic acid, 2-methyloct-5-yn-4-yl ester. Isophthalic acid, 2,7-dimethyloct-7-en-5-yn-4-yl propyl ester. 4-Nitrobenzoic acid, 2,7-dimethyloct-7-en-5-yn-4-yl ester. Isophthalic acid, butyl 2,7-dimethyloct-7-en-5-yn-4-yl ester. 2-Chlorobenzoic acid, 2,7-dimethyloct-7-en-5-yn-4-yl ester.

Find more compounds similar to 3-Bromobenzoic acid, 2,7-dimethyloct-7-en-5-yn-4-yl ester.

Sources

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