- InChI
- InChI=1S/CHBrF2/c2-1(3)4/h1H
- InChI Key
- GRCDJFHYVYUNHM-UHFFFAOYSA-N
- Formula
- CHBrF2
- SMILES
- FC(F)Br
- Molecular Weight1
- 130.92
- CAS
- 1511-62-2
- Other Names
-
- Bromodifluoromethane
- Bromodifluoromethane [R22B1]
- CHBrF2
- Difluorobromomethane
- ω : Acentric Factor.
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- 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).
- Tboil : Normal Boiling Point Temperature (K).
- Tc : Critical Temperature (K).
- Tfus : Normal melting (fusion) point (K).
- Vc : Critical Volume (m3/kmol).
- Zc : Critical Compressibility.
- 1: Molecular weight from the IUPAC atomic weights tables.
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Physical Properties
| Property | Value | Unit | Source |
|---|---|---|---|
| ω | 0.2051 | PSRK revision IV (2005), critical constants and acentric factors of 1000 components Compiled value | |
| ΔfG° | -420.20 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | [-425.30; -424.23] | kJ/mol |
|
| ΔfH°gas | -424.23 ± 0.56 | kJ/mol | Active Thermochemical Tables 1.112, gas-phase enthalpies of formation Compiled value |
| ΔfH°gas | -425.30 ± 0.90 | kJ/mol | NIST |
| ΔfusH° | 6.27 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 23.75 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 11.18 | eV | Relay (1.0) Calculated Property |
| log10WS | -0.59 | Relay (1.0) Calculated Property | |
| logPoct/wat | 1.604 | Crippen Calculated Property | |
| McVol | 45.990 | ml/mol | McGowan Calculated Property |
| Pc | [5130.00; 5132.01] | kPa |
|
| Pc | 5130.00 | kPa | IUPAC Vapor-Liquid Critical Properties of Elements and Compounds, part 10 Compiled value |
| Pc | 5132.01 | kPa | PSRK revision IV (2005), critical constants and acentric factors of 1000 components Compiled value |
| Pc | 5132.00 ± 10.00 | kPa | NIST |
| Tboil | 258.60 | K | NIST |
| Tc | [411.98; 412.00] | K |
|
| Tc | 412.00 | K | IUPAC Vapor-Liquid Critical Properties of Elements and Compounds, part 10 Compiled value |
| Tc | 411.98 | K | PSRK revision IV (2005), critical constants and acentric factors of 1000 components Compiled value |
| Tc | 411.98 ± 0.20 | K | NIST |
| Tfus | [128.00; 128.15] | K |
|
| Tfus | 128.15 | K | Jean-Claude Bradley Open Melting Point Dataset (2014, CC0) Compiled value |
| Tfus | 128.00 ± 2.00 | K | NIST |
| Vc | [0.167; 0.275] | m3/kmol |
|
| Vc | 0.168 | m3/kmol | IUPAC Vapor-Liquid Critical Properties of Elements and Compounds, part 10 Compiled value |
| Vc | 0.167 | m3/kmol | PSRK revision IV (2005), critical constants and acentric factors of 1000 components Compiled value |
| Vc | 0.275 ± 0.005 | m3/kmol | NIST |
| Zc | 0.2510000 | IUPAC Vapor-Liquid Critical Properties of Elements and Compounds, part 10 Compiled value |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| ΔvapH | [24.00; 24.70] | kJ/mol | [226.50; 241.00] |
|
| ΔvapH | 24.00 | kJ/mol | 226.50 | NIST |
| ΔvapH | 24.70 | kJ/mol | 241.00 | NIST |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [56.77; 94.67] | 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 | 2.06700e+01 | |||
| Coefficient B | 1.66500e-01 | |||
| Coefficient C | -1.38000e-04 | |||
| Coefficient D | 4.55000e-08 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 56.77 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 64.32 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 70.70 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 76.05 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 80.52 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 84.25 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 87.39 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 90.08 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 92.46 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 94.67 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Pvap | [1.33; 5200.01] | kPa | [186.66; 411.98] |
The Yaws Handbook of Vapor Pressure
|
| Equation | ln(Y) = A + B/(T + C) Y is Pvap in kPa, T in K | |||
| Coefficient A | 1.45065e+01 | |||
| Coefficient B | -2.30538e+03 | |||
| Coefficient C | -2.45230e+01 | |||
| Temperature range, min. | 186.66 | |||
| Temperature range, max. | 411.98 | |||
| Pvap | 1.33 | kPa | 186.66 | Calculated Property |
| Pvap | 8.93 | kPa | 211.70 | Calculated Property |
| Pvap | 38.19 | kPa | 236.73 | Calculated Property |
| Pvap | 120.19 | kPa | 261.77 | Calculated Property |
| Pvap | 303.88 | kPa | 286.80 | Calculated Property |
| Pvap | 653.64 | kPa | 311.84 | Calculated Property |
| Pvap | 1243.51 | kPa | 336.87 | Calculated Property |
| Pvap | 2150.33 | kPa | 361.91 | Calculated Property |
| Pvap | 3447.47 | kPa | 386.94 | Calculated Property |
| Pvap | 5200.01 | kPa | 411.98 | Calculated Property |
Similar Compounds
Find more compounds similar to Methane, bromodifluoro-.
Sources
- 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.
- PSRK revision IV (2005), critical constants and acentric factors of 1000 components ChEDL chemicals 1.5.2, from Horstmann, S.; Jabłoniec, A.; Krafczyk, J.; Fischer, K.; Gmehling, J. PSRK Group Contribution Equation of State: Comprehensive Revision and Extension IV, Including Critical Constants and α-Function Parameters for 1000 Components. Fluid Phase Equilib. 2005, 227, 157-164.
- Cheméo Relay (1.0)
- Crippen Method
- Crippen Method
- Joback Method
- McGowan Method
- NIST Webbook
- The Yaws Handbook of Vapor Pressure
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