- InChI
- InChI=1S/C2HBr3O2/c3-2(4,5)1(6)7/h(H,6,7)
- InChI Key
- QIONYIKHPASLHO-UHFFFAOYSA-N
- Formula
- C2HBr3O2
- SMILES
- O=C(O)C(Br)(Br)Br
- Molecular Weight1
- 296.74
- Other Names
-
- Acetic acid, tribromo-
- Tribromacetic acid
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- η : Dynamic viscosity (Pa×s).
- ΔfH°gas : Enthalpy of formation at standard conditions (kJ/mol).
- ΔfusH° : Enthalpy of fusion at standard conditions (kJ/mol).
- ΔvapH° : Enthalpy of vaporization at standard conditions (kJ/mol).
- IE : Ionization energy (eV).
- logPoct/wat : Octanol/Water partition coefficient.
- McVol : McGowan's characteristic volume (ml/mol).
- Tboil : Normal Boiling Point Temperature (K).
- Tfus : Normal melting (fusion) point (K).
- 1: Molecular weight from the IUPAC atomic weights tables.
Physical Properties
| Property | Value | Unit | Source |
|---|---|---|---|
| ΔfH°gas | -265.63 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 19.52 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 64.27 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 11.08 | eV | Relay (1.0) Calculated Property |
| logPoct/wat | 1.909 | Crippen Calculated Property | |
| McVol | 98.980 | ml/mol | McGowan Calculated Property |
| Tboil | 518.20 | K | NIST |
| Tfus | 405.15 | K | Jean-Claude Bradley Open Melting Point Dataset (2014, CC0) Compiled value |
Cheméo can also estimate Critical Temperature, Critical Pressure, Critical Volume, 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.
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [102.03; 161.97] | J/mol×K | [273.00; 1000.00] |
Joback Predicted correlation
|
| Equation | Y = A + B·T + C·T² + D·T³ + E·T⁴ Y is Cp,gas in J/mol×K, T in K | |||
| Coefficient A | 5.77000e+00 | |||
| Coefficient B | 4.85000e-01 | |||
| Coefficient C | -5.43600e-04 | |||
| Coefficient D | 2.14800e-07 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 102.03 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 118.83 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 131.50 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 140.74 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 147.22 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 151.61 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 154.61 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 156.88 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 159.11 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 161.97 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0023279; 0.0003621] | Pa×s | [405.15; 595.05] |
Joback Predicted correlation
|
| Equation | Y = exp(A + B/T + C·ln(T) + D·T^E) Y is η in Pa×s, T in K | |||
| Coefficient A | -1.18941e+01 | |||
| Coefficient B | 2.36258e+03 | |||
| Coefficient C | 0.00000e+00 | |||
| Coefficient D | 0.00000e+00 | |||
| Coefficient E | 0.00000e+00 | |||
| Comment | Liquid phase. Joback/Reid (1987), valid from Tf to 0.7·Tc. | |||
| Temperature range, min. | 405.15 | |||
| Temperature range, max. | 595.05 | |||
| η | 0.0023279 | Pa×s | 405.15 | Calculated Property |
| η | 0.0017443 | Pa×s | 426.25 | Calculated Property |
| η | 0.0013430 | Pa×s | 447.35 | Calculated Property |
| η | 0.0010587 | Pa×s | 468.45 | Calculated Property |
| η | 0.0008518 | Pa×s | 489.55 | Calculated Property |
| η | 0.0006978 | Pa×s | 510.65 | Calculated Property |
| η | 0.0005808 | Pa×s | 531.75 | Calculated Property |
| η | 0.0004902 | Pa×s | 552.85 | Calculated Property |
| η | 0.0004189 | Pa×s | 573.95 | Calculated Property |
| η | 0.0003621 | Pa×s | 595.05 | Calculated Property |
Similar Compounds
Find more compounds similar to TRIBROMOACETIC ACID.
Sources
- Jean-Claude Bradley Open Melting Point Dataset (2014, CC0) ChEDL chemicals 1.5.2, from Bradley, J.-C.; Williams, A.; Lang, A. Jean-Claude Bradley Open Melting Point Dataset. Figshare, 2014 (CC0).
- Cheméo Relay (1.0)
- Cheméo Relay (1.0, beta) Beta: served but experimental, data-limited and below our cross-validation release bar; the Joback value is recommended where available.
- Crippen Method
- Crippen Method
- Joback Method
- McGowan Method
- NIST Webbook
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