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

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

InChI
InChI=1S/C12H7BrF8O2/c13-7-3-1-2-6(4-7)8(22)23-5-10(16,17)12(20,21)11(18,19)9(14)15/h1-4,9H,5H2
InChI Key
PCXNEAYFCQQGHJ-UHFFFAOYSA-N
Formula
C12H7BrF8O2
SMILES
O=C(OCC(F)(F)C(F)(F)C(F)(F)C(F)F)c1cccc(Br)c1
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 [1571.00; 1571.00]   Show Hide
Inp 1571.00 NIST
Inp 1571.00 NIST
Tboil 549.65 K Relay (1.0) Calculated Property
Tfus 311.11 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, 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.

Correlations

Property Value Unit Temperature (K) Source
Cp,gas [296.56; 595.54] J/mol×K [273.00; 1000.00] Joback Predicted correlation Show Hide
EquationY = A + B·T + C·T² + D·T³ + E·T⁴
Y is Cp,gas in J/mol×K, T in K
Coefficient A-2.03990e+01
Coefficient B1.46650e+00
Coefficient C-1.21976e-03
Coefficient D3.69200e-07
Coefficient E0.00000e+00
Temperature range, min.273.00
Temperature range, max.1000.00
Cp,gas 296.56 J/mol×K 273.00 Calculated Property
Cp,gas 362.10 J/mol×K 353.78 Calculated Property
Cp,gas 416.84 J/mol×K 434.56 Calculated Property
Cp,gas 461.93 J/mol×K 515.33 Calculated Property
Cp,gas 498.56 J/mol×K 596.11 Calculated Property
Cp,gas 527.89 J/mol×K 676.89 Calculated Property
Cp,gas 551.09 J/mol×K 757.67 Calculated Property
Cp,gas 569.31 J/mol×K 838.44 Calculated Property
Cp,gas 583.74 J/mol×K 919.22 Calculated Property
Cp,gas 595.54 J/mol×K 1000.00 Calculated Property

Similar Compounds

2-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. 1-Naphthoic acid, 2,2,3,3,4,4,5,5-octafluoropentyl ester. 4-Chlorobenzoic 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. 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. 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-Fluorobenzoic 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, decyl 2,2,3,3,4,4,5,5-octafluoropentyl ester. Isophthalic acid, octadecyl 2,2,3,3,4,4,5,5-octafluoropentyl ester.

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

Sources

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