Chemical Properties of 2-Bromobenzoic acid, 2,2,3,3,4,4,5,5-octafluoropentyl ester

2-Bromobenzoic acid, 2,2,3,3,4,4,5,5-octafluoropentyl ester

InChI
InChI=1S/C12H7BrF8O2/c13-7-4-2-1-3-6(7)8(22)23-5-10(16,17)12(20,21)11(18,19)9(14)15/h1-4,9H,5H2
InChI Key
HRKWSBPLEXTMLQ-UHFFFAOYSA-N
Formula
C12H7BrF8O2
SMILES
O=C(OCC(F)(F)C(F)(F)C(F)(F)C(F)F)c1ccccc1Br
Molecular Weight1
415.07
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Physical Properties

Property Value Unit Source
ΔfusH° 29.02 kJ/mol Joback Calculated Property
logPoct/wat 4.777 Crippen Calculated Property
McVol 195.280 ml/mol McGowan Calculated Property
Inp 1570.00 NIST
Tboil 549.19 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 [505.74; 560.58] J/mol×K [614.23; 797.32] Show Hide
Cp,gas 505.74 J/mol×K 614.23 Joback Calculated Property
Cp,gas 517.02 J/mol×K 644.75 Joback Calculated Property
Cp,gas 527.37 J/mol×K 675.26 Joback Calculated Property
Cp,gas 536.83 J/mol×K 705.78 Joback Calculated Property
Cp,gas 545.48 J/mol×K 736.29 Joback Calculated Property
Cp,gas 553.38 J/mol×K 766.81 Joback Calculated Property
Cp,gas 560.58 J/mol×K 797.32 Joback Calculated Property

Similar Compounds

3-Bromobenzoic acid, 2,2,3,3,4,4,5,5-octafluoropentyl ester. Benzoic acid, 2,2,3,3,4,4,5,5-octafluoropentyl ester. Isophthalic acid, di(2,2,3,3,4,4,5,5-octafluoropentyl) ester. 4-Methylbenzoic acid, 2,2,3,3,4,4,5,5-octafluoropentyl ester. Benzoic acid, 3-methyl-, 2,2,3,3,4,4,5,5-octafluoropentyl ester. 1-Naphthoic acid, 2,2,3,3,4,4,5,5-octafluoropentyl ester. 4-Fluorobenzoic acid, 2,2,3,3,4,4,5,5-octafluoropentyl ester. 3-Fluorobenzoic acid, 2,2,3,3,4,4,5,5-octafluoropentyl ester. 4-Chlorobenzoic acid, 2,2,3,3,4,4,5,5-octafluoropentyl ester. 2-Fluorobenzoic acid, 2,2,3,3,4,4,5,5-octafluoropentyl ester. 2-Chlorobenzoic acid, 2,2,3,3,4,4,5,5-octafluoropentyl ester. 3-Trifluoromethylbenzoic acid, 2,2,3,3,4,4,5,5-octafluoropentyl ester. 2-Trifluoromethylbenzoic acid, 2,2,3,3,4,4,5,5-octafluoropentyl ester. Isophthalic acid, heptadecyl 2,2,3,3,4,4,5,5-octafluoropentyl ester. Isophthalic acid, 2,2,3,3,4,4,5,5-octafluoropentyl tridecyl ester.

Find more compounds similar to 2-Bromobenzoic acid, 2,2,3,3,4,4,5,5-octafluoropentyl ester.

Sources

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