- InChI
- InChI=1S/CBrF3/c2-1(3,4)5
- InChI Key
- RJCQBQGAPKAMLL-UHFFFAOYSA-N
- Formula
- CBrF3
- SMILES
- FC(F)(F)Br
- Molecular Weight1
- 148.91
- CAS
- 75-63-8
- Other Names
-
- Bromofluoroform
- CBrF3
- CF3Br
- Carbon monobromide trifluoride
- Daiflon 13B1
- F 13B1
- FC 13B1
- Flugex 13B1
- Fluorocarbon 1301
- Freon 13B1
- Halon 1301
- Khladon 13B1
- Methane, bromotrifluoro-
- Monobromotrifluoromethane
- R 13B1
- Refrigerant 13B1
- Trifluorobromomethane
- Trifluoromethyl bromide
- Trifluoromonobromomethane
- UN 1009
- PAff : Proton affinity (kJ/mol).
- BasG : Gas basicity (kJ/mol).
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- Cp,liquid : Liquid phase heat capacity (J/mol×K).
- EA : Electron affinity (eV).
- ΔfG° : Standard Gibbs free energy of formation (kJ/mol).
- 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).
- ρc : Critical 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 |
|---|---|---|---|
| PAff | 580.00 | kJ/mol | NIST |
| BasG | 550.30 | kJ/mol | NIST |
| EA | 0.91 ± 0.20 | eV | NIST |
| ΔfG° | -609.73 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | [-649.40; -647.30] | kJ/mol |
|
| ΔfH°gas | -647.30 ± 2.90 | kJ/mol | NIST |
| ΔfH°gas | -649.40 ± 3.20 | kJ/mol | NIST |
| ΔfusH° | 5.46 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 20.51 | kJ/mol | Joback Calculated Property |
| IE | [11.40; 12.40] | eV |
|
| IE | 11.40 ± 0.01 | eV | NIST |
| IE | 11.40 ± 0.01 | eV | NIST |
| IE | 11.76 ± 0.02 | eV | NIST |
| IE | 11.70 | eV | NIST |
| IE | 11.82 ± 0.02 | eV | NIST |
| IE | 11.89 ± 0.10 | eV | NIST |
| IE | 12.30 ± 0.30 | eV | NIST |
| IE | 12.40 | eV | NIST |
| IE | 12.08 ± 0.05 | eV | NIST |
| IE | 12.10 | eV | NIST |
| IE | 12.00 | eV | NIST |
| IE | 12.12 ± 0.02 | eV | NIST |
| log10WS | -1.83 | Crippen Calculated Property | |
| logPoct/wat | 1.901 | Crippen Calculated Property | |
| McVol | 47.760 | ml/mol | McGowan Calculated Property |
| Pc | 3956.00 ± 3.00 | kPa | NIST |
| ρc | 763.91 ± 4.47 | kg/m3 | NIST |
| Inp | [222.00; 222.00] |
|
|
| Inp | 222.00 | NIST | |
| Inp | 222.00 | NIST | |
| Tboil | 215.30 | K | NIST |
| Tc | 340.08 ± 0.02 | K | NIST |
| Tfus | [98.47; 98.72] | K |
|
| Tfus | 98.47 ± 0.05 | K | NIST |
| Tfus | 98.72 ± 0.05 | K | NIST |
| Vc | 0.197 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [65.29; 83.79] | J/mol×K | [283.02; 447.40] |
|
| Cp,gas | 65.29 | J/mol×K | 283.02 | Joback Calculated Property |
| Cp,gas | 69.11 | J/mol×K | 310.42 | Joback Calculated Property |
| Cp,gas | 72.61 | J/mol×K | 337.81 | Joback Calculated Property |
| Cp,gas | 75.81 | J/mol×K | 365.21 | Joback Calculated Property |
| Cp,gas | 78.73 | J/mol×K | 392.60 | Joback Calculated Property |
| Cp,gas | 81.39 | J/mol×K | 420.00 | Joback Calculated Property |
| Cp,gas | 83.79 | J/mol×K | 447.40 | Joback Calculated Property |
| Cp,liquid | 163.80 | J/mol×K | 293.00 | NIST |
| ΔvapH | [17.70; 19.10] | kJ/mol | [190.50; 308.00] |
|
| ΔvapH | 19.10 | kJ/mol | 190.50 | NIST |
| ΔvapH | 17.70 | kJ/mol | 213.50 | NIST |
| ΔvapH | 17.80 | kJ/mol | 308.00 | NIST |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Pvap | [5.90e-04; 4288.50] | kPa | [105.15; 340.15] |
KDB Vap...
|
| Equation | ln(Pvp) = A + B/T + C*ln(T) + D*T^2 | |||
| Coefficient A | 8.46449e+01 | |||
| Coefficient B | -3.96443e+03 | |||
| Coefficient C | -1.17615e+01 | |||
| Coefficient D | 3.40177e-05 | |||
| Temperature range, min. | 105.15 | |||
| Temperature range, max. | 340.15 | |||
| Pvap | 5.90e-04 | kPa | 105.15 | Calculated Property |
| Pvap | 0.10 | kPa | 131.26 | Calculated Property |
| Pvap | 2.22 | kPa | 157.37 | Calculated Property |
| Pvap | 17.84 | kPa | 183.48 | Calculated Property |
| Pvap | 78.05 | kPa | 209.59 | Calculated Property |
| Pvap | 236.84 | kPa | 235.71 | Calculated Property |
| Pvap | 573.08 | kPa | 261.82 | Calculated Property |
| Pvap | 1205.20 | kPa | 287.93 | Calculated Property |
| Pvap | 2328.41 | kPa | 314.04 | Calculated Property |
| Pvap | 4288.50 | kPa | 340.15 | Calculated Property |
Similar Compounds
Find more compounds similar to Bromotrifluoromethane.
Sources
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