- InChI
- InChI=1S/C2HBr2FO2/c3-2(4,5)1(6)7/h(H,6,7)
- InChI Key
- NWIYDZBYJAJLNC-UHFFFAOYSA-N
- Formula
- C2HBr2FO2
- SMILES
- O=C(O)C(F)(Br)Br
- Molecular Weight1
- 235.83
- CAS
- 353-99-1
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- 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).
- ΔvapH : Enthalpy of vaporization at a given temperature (kJ/mol).
- IE : Ionization energy (eV).
- logPoct/wat : Octanol/Water partition coefficient.
- McVol : McGowan's characteristic volume (ml/mol).
- Pvap : Vapor pressure (kPa).
- Tboil : Normal Boiling Point Temperature (K).
- Tboilr : Boiling point at reduced pressure (K).
- Tfus : Normal melting (fusion) point (K).
- 1: Molecular weight from the IUPAC atomic weights tables.
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Physical Properties
| Property | Value | Unit | Source |
|---|---|---|---|
| ΔfH°gas | -524.78 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 17.32 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 59.04 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 11.22 | eV | Relay (1.0) Calculated Property |
| logPoct/wat | 1.484 | Crippen Calculated Property | |
| McVol | 83.250 | ml/mol | McGowan Calculated Property |
| Tboil | 470.89 | K | Relay (1.0) Calculated Property |
| Tfus | 308.07 | K | Relay (1.0) Calculated Property |
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.
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| ΔvapH | 60.20 | kJ/mol | 435.50 | NIST |
Pressure Dependent Properties
| Property | Value | Unit | Pressure (kPa) | Source |
|---|---|---|---|---|
| Tboilr | 403.00 | K | 8.00 | NIST |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [96.24; 159.97] | 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 | 3.67000e+00 | |||
| Coefficient B | 4.58600e-01 | |||
| Coefficient C | -4.88600e-04 | |||
| Coefficient D | 1.86300e-07 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 96.24 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 113.01 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 125.98 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 135.74 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 142.89 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 148.00 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 151.68 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 154.51 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 157.08 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 159.97 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Pvap | [1.33; 202.63] | kPa | [367.93; 494.81] |
The Yaws Handbook of Vapor Pressure
|
| Equation | ln(Y) = A + B/(T + C) Y is Pvap in kPa, T in K | |||
| Coefficient A | 1.66336e+01 | |||
| Coefficient B | -4.67402e+03 | |||
| Coefficient C | -8.19900e+01 | |||
| Temperature range, min. | 367.93 | |||
| Temperature range, max. | 494.81 | |||
| Pvap | 1.33 | kPa | 367.93 | Calculated Property |
| Pvap | 2.87 | kPa | 382.03 | Calculated Property |
| Pvap | 5.78 | kPa | 396.13 | Calculated Property |
| Pvap | 10.95 | kPa | 410.22 | Calculated Property |
| Pvap | 19.69 | kPa | 424.32 | Calculated Property |
| Pvap | 33.79 | kPa | 438.42 | Calculated Property |
| Pvap | 55.65 | kPa | 452.52 | Calculated Property |
| Pvap | 88.36 | kPa | 466.61 | Calculated Property |
| Pvap | 135.78 | kPa | 480.71 | Calculated Property |
| Pvap | 202.63 | kPa | 494.81 | Calculated Property |
Similar Compounds
Find more compounds similar to Dibromofluoroacetic acid.
Sources
- 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
- The Yaws Handbook of Vapor Pressure
Note: Cheméo is only indexing the data, follow the source links to retrieve the latest data. The source is also providing more information like the publication year, authors and more.
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