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

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

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
ΔfusH° 36.58 kJ/mol Joback Calculated Property
IE 9.00 eV Relay (1.0) Calculated Property
logPoct/wat 4.434 Crippen Calculated Property
McVol 228.880 ml/mol McGowan Calculated Property
Inp [1967.00; 1967.00]   Show Hide
Inp 1967.00 NIST
Inp 1967.00 NIST
Tfus 302.89 K Relay (1.0) Calculated Property

Cheméo can also estimate Normal Boiling Point Temperature, 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 [593.42; 671.38] J/mol×K [729.84; 963.03] Show Hide
Cp,gas 593.42 J/mol×K 729.84 Joback Calculated Property
Cp,gas 609.21 J/mol×K 768.71 Joback Calculated Property
Cp,gas 623.82 J/mol×K 807.57 Joback Calculated Property
Cp,gas 637.29 J/mol×K 846.44 Joback Calculated Property
Cp,gas 649.68 J/mol×K 885.30 Joback Calculated Property
Cp,gas 661.02 J/mol×K 924.17 Joback Calculated Property
Cp,gas 671.38 J/mol×K 963.03 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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