- InChI
- InChI=1S/CBr2F2/c2-1(3,4)5
- InChI Key
- AZSZCFSOHXEJQE-UHFFFAOYSA-N
- Formula
- CBr2F2
- SMILES
- FC(F)(Br)Br
- Molecular Weight1
- 209.82
- CAS
- 75-61-6
- Other Names
-
- CF2Br2
- Dibromodifluoromethane
- Difluorodibromomethane
- Freon 12-B2
- Halon 1202
- UN 1941
- ω : Acentric Factor.
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- μ : Dipole Moment (debye).
- 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).
- log10WS : Log10 of Water solubility in mol/l.
- logPoct/wat : Octanol/Water partition coefficient.
- McVol : McGowan's characteristic volume (ml/mol).
- Pc : Critical Pressure (kPa).
- Pvap : Vapor pressure (kPa).
- ρl : Liquid Density (kg/m3).
- Inp : Non-polar retention indices.
- Tboil : Normal Boiling Point Temperature (K).
- Tc : Critical Temperature (K).
- Tfus : Normal melting (fusion) point (K).
- Vc : Critical Volume (m3/kmol).
- 1: Molecular weight from the IUPAC atomic weights tables.
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Physical Properties
| Property | Value | Unit | Source |
|---|---|---|---|
| ω | 0.3396 | Relay (1.0) Calculated Property | |
| μ | 0.70 | debye | KDB |
| ΔfH°gas | -384.50 ± 1.40 | kJ/mol | Active Thermochemical Tables 1.112, gas-phase enthalpies of formation Compiled value |
| ΔfusH° | 7.66 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 26.51 | kJ/mol | Relay (1.0) Calculated Property |
| IE | [10.98; 11.18] | eV |
|
| IE | 11.03 ± 0.04 | eV | NIST |
| IE | 10.98 ± 0.02 | eV | NIST |
| IE | 11.07 ± 0.03 | eV | NIST |
| IE | 11.18 | eV | NIST |
| log10WS | -2.21 | Relay (1.0) Calculated Property | |
| logPoct/wat | 2.327 | Crippen Calculated Property | |
| McVol | 63.490 | ml/mol | McGowan Calculated Property |
| Pc | 4130.00 | kPa | KDB |
| Inp | [477.00; 481.40] |
|
|
| Inp | 481.40 | NIST | |
| Inp | 477.00 | NIST | |
| Inp | 477.00 | NIST | |
| Inp | 481.40 | NIST | |
| Inp | 477.00 | NIST | |
| Tboil | [297.60; 298.00] | K |
|
| Tboil | 298.00 | K | KDB |
| Tboil | 297.60 | K | NIST |
| Tc | [471.00; 471.30] | K |
|
| Tc | 471.00 | K | IUPAC Vapor-Liquid Critical Properties of Elements and Compounds, part 10 Compiled value |
| Tc | 471.30 | K | KDB |
| Tfus | [126.69; 163.05] | K |
|
| Tfus | 163.05 | K | Jean-Claude Bradley Open Melting Point Dataset (2014, CC0) Compiled value |
| Tfus | 163.00 | K | KDB |
| Tfus | 131.61 ± 0.05 | K | NIST |
| Tfus | 126.69 ± 0.05 | K | NIST |
| Vc | 0.272 | m3/kmol | Relay (1.0) Calculated Property |
Cheméo can also estimate Standard Gibbs free energy of formation for this compound, but it falls outside the models' validated range, so it is not shown here. Open the prediction tool to compute it on demand.
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| ΔvapH | [18.60; 26.10] | kJ/mol | [187.00; 272.00] |
|
| ΔvapH | 18.60 | kJ/mol | 187.00 | NIST |
| ΔvapH | 26.10 | kJ/mol | 272.00 | NIST |
| ρl | 2462.00 | kg/m3 | 288.00 | KDB |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [69.61; 104.67] | 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 | 6.07000e+00 | |||
| Coefficient B | 3.24600e-01 | |||
| Coefficient C | -3.78000e-04 | |||
| Coefficient D | 1.52000e-07 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 69.61 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 80.33 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 88.22 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 93.76 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 97.44 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 99.74 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 101.13 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 102.09 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 103.11 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 104.67 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Pvap | [1.33; 202.64] | kPa | [212.14; 318.82] |
The Yaws Handbook of Vapor Pressure
|
| Equation | ln(Y) = A + B/(T + C) Y is Pvap in kPa, T in K | |||
| Coefficient A | 1.44211e+01 | |||
| Coefficient B | -2.73386e+03 | |||
| Coefficient C | -1.87140e+01 | |||
| Temperature range, min. | 212.14 | |||
| Temperature range, max. | 318.82 | |||
| Pvap | 1.33 | kPa | 212.14 | Calculated Property |
| Pvap | 3.01 | kPa | 223.99 | Calculated Property |
| Pvap | 6.24 | kPa | 235.85 | Calculated Property |
| Pvap | 11.97 | kPa | 247.70 | Calculated Property |
| Pvap | 21.54 | kPa | 259.55 | Calculated Property |
| Pvap | 36.68 | kPa | 271.41 | Calculated Property |
| Pvap | 59.56 | kPa | 283.26 | Calculated Property |
| Pvap | 92.77 | kPa | 295.11 | Calculated Property |
| Pvap | 139.33 | kPa | 306.97 | Calculated Property |
| Pvap | 202.64 | kPa | 318.82 | Calculated Property |
| Pvap | [9.96e-03; 5227.96] | kPa | [163.05; 478.00] |
KDB Vapor Pressure Data
|
| Equation | ln(Y) = A + B/T + C·ln(T) + D·T² + E/T² Y is Pvap in kPa, T in K | |||
| Coefficient A | 4.96416e+01 | |||
| Coefficient B | -4.37805e+03 | |||
| Coefficient C | -5.41229e+00 | |||
| Coefficient D | 6.43814e-06 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 163.05 | |||
| Temperature range, max. | 478.00 | |||
| Pvap | 9.96e-03 | kPa | 163.05 | Calculated Property |
| Pvap | 0.43 | kPa | 198.04 | Calculated Property |
| Pvap | 5.48 | kPa | 233.04 | Calculated Property |
| Pvap | 33.43 | kPa | 268.03 | Calculated Property |
| Pvap | 129.05 | kPa | 303.03 | Calculated Property |
| Pvap | 368.29 | kPa | 338.02 | Calculated Property |
| Pvap | 854.90 | kPa | 373.02 | Calculated Property |
| Pvap | 1716.89 | kPa | 408.01 | Calculated Property |
| Pvap | 3109.62 | kPa | 443.01 | Calculated Property |
| Pvap | 5227.96 | kPa | 478.00 | Calculated Property |
| Pvap | [0.13; 101.33] | kPa | [184.46; 295.94] |
NIST
|
| Equation | ln(Y) = A + B/(T + C) Y is Pvap in kPa, T in K | |||
| Coefficient A | 1.44708e+01 | |||
| Coefficient B | -2.72967e+03 | |||
| Coefficient C | -1.88860e+01 | |||
| Reference | McDonald, Shrader, et al., 1959, 2 | |||
| Temperature range, min. | 184.46 | |||
| Temperature range, max. | 295.94 | |||
| Pvap | 0.13 | kPa | 184.46 | Calculated Property |
| Pvap | 0.42 | kPa | 196.85 | Calculated Property |
| Pvap | 1.14 | kPa | 209.23 | Calculated Property |
| Pvap | 2.74 | kPa | 221.62 | Calculated Property |
| Pvap | 5.94 | kPa | 234.01 | Calculated Property |
| Pvap | 11.85 | kPa | 246.39 | Calculated Property |
| Pvap | 22.03 | kPa | 258.78 | Calculated Property |
| Pvap | 38.51 | kPa | 271.17 | Calculated Property |
| Pvap | 63.90 | kPa | 283.55 | Calculated Property |
| Pvap | 101.33 | kPa | 295.94 | Calculated Property |
| Pvap | [0.13; 101.33] | kPa | [184.46; 295.94] |
NIST
|
| Equation | ln(Y) = A + B/(T + C) Y is Pvap in kPa, T in K | |||
| Coefficient A | 1.44708e+01 | |||
| Coefficient B | -2.72967e+03 | |||
| Coefficient C | -1.88860e+01 | |||
| Reference | McDonald, Shrader, et al., 1959 | |||
| Temperature range, min. | 184.46 | |||
| Temperature range, max. | 295.94 | |||
| Pvap | 0.13 | kPa | 184.46 | Calculated Property |
| Pvap | 0.42 | kPa | 196.85 | Calculated Property |
| Pvap | 1.14 | kPa | 209.23 | Calculated Property |
| Pvap | 2.74 | kPa | 221.62 | Calculated Property |
| Pvap | 5.94 | kPa | 234.01 | Calculated Property |
| Pvap | 11.85 | kPa | 246.39 | Calculated Property |
| Pvap | 22.03 | kPa | 258.78 | Calculated Property |
| Pvap | 38.51 | kPa | 271.17 | Calculated Property |
| Pvap | 63.90 | kPa | 283.55 | Calculated Property |
| Pvap | 101.33 | kPa | 295.94 | Calculated Property |
Similar Compounds
Find more compounds similar to Methane, dibromodifluoro-.
Sources
- KDB Vapor Pressure Data
- Active Thermochemical Tables 1.112, gas-phase enthalpies of formation ChEDL chemicals 1.5.2, from Active Thermochemical Tables (ATcT), version 1.112, Argonne National Laboratory; Ruscic, B. et al. Active Thermochemical Tables: Thermochemistry for the 21st Century. J. Phys.: Conf. Ser. 2005, 16, 561.
- 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).
- IUPAC Vapor-Liquid Critical Properties of Elements and Compounds, part 10 ChEDL chemicals 1.5.2, from Marsh, K. N.; Abramson, A.; Ambrose, D.; Morton, D. W.; Nikitin, E.; Tsonopoulos, C.; Young, C. L. Vapor-Liquid Critical Properties of Elements and Compounds. 10. Organic Compounds Containing Halogens. J. Chem. Eng. Data 2007, 52, 1509-1538.
- Cheméo Relay (1.0)
- Crippen Method
- Crippen Method
- Joback Method
- KDB
- McGowan Method
- NIST Webbook
- The Yaws Handbook of Vapor Pressure
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