Chemical Properties of Tetrabromophenolphthalein, ethyl ester (CAS 1176-74-5)

Tetrabromophenolphthalein, ethyl ester

InChI
InChI=1S/C22H14Br4O4/c1-2-30-22(29)14-6-4-3-5-13(14)19(11-7-15(23)20(27)16(24)8-11)12-9-17(25)21(28)18(26)10-12/h3-10,27H,2H2,1H3
InChI Key
SQFXATUXPUCFFO-UHFFFAOYSA-N
Formula
C22H14Br4O4
SMILES
CCOC(=O)c1ccccc1C(=C1C=C(Br)C(=O)C(Br)=C1)c1cc(Br)c(O)c(Br)c1
Molecular Weight1
661.96
CAS
1176-74-5
Other Names
  • ethyl 2-[(3,5-dibromo-4-hydroxyphenyl)(3,5-dibromo-4-oxo-2,5-cyclohexadien-1-ylidene)methyl]benzoate
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Physical Properties

Property Value Unit Source
ΔfH°gas -275.93 kJ/mol Relay (1.0) Calculated Property
ΔfusH° 61.90 kJ/mol Joback Calculated Property
ΔvapH° 134.00 kJ/mol Relay (1.0) Calculated Property
log10WS -8.19 Relay (1.0) Calculated Property
logPoct/wat 7.036 Crippen Calculated Property
McVol 334.440 ml/mol McGowan Calculated Property
Pc 2673.54 kPa Joback Calculated Property
Tboil 714.70 K Relay (1.0) Calculated Property
Tfus 449.36 K Relay (1.0) Calculated Property

Cheméo can also estimate Critical Temperature, Critical Volume, Standard Gibbs free energy of formation, Acentric Factor, Ionization energy 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 [405.10; 849.58] 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 A2.76810e+01
Coefficient B1.68182e+00
Coefficient C-1.18532e-03
Coefficient D3.25400e-07
Coefficient E0.00000e+00
Temperature range, min.273.00
Temperature range, max.1000.00
Cp,gas 405.10 J/mol×K 273.00 Calculated Property
Cp,gas 488.73 J/mol×K 353.78 Calculated Property
Cp,gas 561.39 J/mol×K 434.56 Calculated Property
Cp,gas 624.13 J/mol×K 515.33 Calculated Property
Cp,gas 677.96 J/mol×K 596.11 Calculated Property
Cp,gas 723.92 J/mol×K 676.89 Calculated Property
Cp,gas 763.03 J/mol×K 757.67 Calculated Property
Cp,gas 796.32 J/mol×K 838.44 Calculated Property
Cp,gas 824.83 J/mol×K 919.22 Calculated Property
Cp,gas 849.58 J/mol×K 1000.00 Calculated Property

Similar Compounds

5,6-Dihydrouracil riboside, TMS. Tazettine. ethyl eburnamenine-14-carboxylate. QUINIDINE, M(N-OXIDE), AC. QUINIDINE, AC. Hispaglabridin A. Norcodeine. 3-propionyl-morphine. Morphinan-3,6-diol, 7,8-didehydro-4,5-epoxy-17-methyl- (5«alpha»,6«alpha»)-, bis(trifluoroacetate) (ester). Crinan-11-ol, 1,2-didehydro-3-methoxy-, (3«beta»,5«alpha»,11R,13«beta»,19«alpha»)-. DIHYDROERGOKRYPTINE. RESCINNAMINE. Prajmaline. Methyldesorphine. Triazolo[4,5-d]pyrimidin-7-ol,3h-v-, 5-amino-3-(2',3'-o-isopropylidene-beta-d-ribofuranosyl)-, 5'-diphenyl phosphate (keto form).

Find more compounds similar to Tetrabromophenolphthalein, ethyl ester.

Sources

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