Chemical Properties of 4-Bromobenzoic acid, oct-3-en-2-yl ester

4-Bromobenzoic acid, oct-3-en-2-yl ester

InChI
InChI=1S/C15H19BrO2/c1-3-4-5-6-7-12(2)18-15(17)13-8-10-14(16)11-9-13/h6-12H,3-5H2,1-2H3/b7-6+
InChI Key
ADKQMQRHYQJUPD-VOTSOKGWSA-N
Formula
C15H19BrO2
SMILES
CCCCC=CC(C)OC(=O)c1ccc(Br)cc1
Molecular Weight1
311.21
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Physical Properties

Property Value Unit Source
ΔfusH° 33.01 kJ/mol Joback Calculated Property
IE 8.92 eV Relay (1.0) Calculated Property
logPoct/wat 4.741 Crippen Calculated Property
McVol 219.090 ml/mol McGowan Calculated Property
Inp [1923.00; 1923.00]   Show Hide
Inp 1923.00 NIST
Inp 1923.00 NIST
Tfus 288.95 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 [566.72; 642.62] J/mol×K [720.43; 940.78] Show Hide
Cp,gas 566.72 J/mol×K 720.43 Joback Calculated Property
Cp,gas 581.64 J/mol×K 757.16 Joback Calculated Property
Cp,gas 595.59 J/mol×K 793.88 Joback Calculated Property
Cp,gas 608.60 J/mol×K 830.61 Joback Calculated Property
Cp,gas 620.74 J/mol×K 867.33 Joback Calculated Property
Cp,gas 632.06 J/mol×K 904.06 Joback Calculated Property
Cp,gas 642.62 J/mol×K 940.78 Joback Calculated Property
η [0.0000953; 0.0011585] Pa×s [409.63; 720.43] Show Hide
η 0.0011585 Pa×s 409.63 Joback Calculated Property
η 0.0006047 Pa×s 461.43 Joback Calculated Property
η 0.0003599 Pa×s 513.23 Joback Calculated Property
η 0.0002356 Pa×s 565.03 Joback Calculated Property
η 0.0001656 Pa×s 616.83 Joback Calculated Property
η 0.0001229 Pa×s 668.63 Joback Calculated Property
η 0.0000953 Pa×s 720.43 Joback Calculated Property

Similar Compounds

3-Bromobenzoic acid, oct-3-en-2-yl ester. 2-Bromobenzoic acid, oct-3-en-2-yl ester. 4-Cyanobenzoic acid, oct-3-en-2-yl ester. Isophthalic acid, di(oct-3-en-2-yl) ester. 4-(Trifluoromethyl)benzoic acid, oct-3-en-2-yl ester. 4-Chlorobenzoic acid, oct-3-en-2-yl ester. p-Toluic acid, oct-3-en-2-yl ester. 4-Fluorobenzoic acid. oct-3-en-2-yl ester. p-Anisic acid, oct-3-en-2-yl ester. 1-Naphthoic acid, oct-3-en-2-yl ester. 3-Fluorobenzoic acid, oct-3-en-2-yl ester. Isophthalic acid, oct-3-en-2-yl propyl ester. 2-Fluorobenzoic acid, oct-3-en-2-yl ester. Isophthalic acid, isobutyl oct-3-en-2-yl ester. 2-Chlorobenzoic acid, oct-3-en-2-yl ester.

Find more compounds similar to 4-Bromobenzoic acid, oct-3-en-2-yl ester.

Sources

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