- InChI
- InChI=1S/CHBrClF/c2-1(3)4/h1H
- InChI Key
- YNKZSBSRKWVMEZ-UHFFFAOYSA-N
- Formula
- CHBrClF
- SMILES
- FC(Cl)Br
- Molecular Weight1
- 147.37
- CAS
- 593-98-6
- Other Names
-
- Bromochlorofluoromethane
- Fluorochlorobromomethane
- 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).
- 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).
- 1: Molecular weight from the IUPAC atomic weights tables.
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Physical Properties
| Property | Value | Unit | Source |
|---|---|---|---|
| ω | 0.2867 | Relay (1.0) Calculated Property | |
| ΔfG° | -237.32 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -231.80 ± 5.50 | kJ/mol | Active Thermochemical Tables 1.112, gas-phase enthalpies of formation Compiled value |
| ΔfusH° | 7.39 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 30.29 | kJ/mol | Relay (1.0) Calculated Property |
| IE | [10.98; 11.13] | eV |
|
| IE | 10.98 ± 0.05 | eV | NIST |
| IE | 11.13 ± 0.06 | eV | NIST |
| log10WS | -1.21 | Relay (1.0) Calculated Property | |
| logPoct/wat | 1.873 | Crippen Calculated Property | |
| McVol | 56.460 | ml/mol | McGowan Calculated Property |
| Pc | 5747.92 | kPa | Joback Calculated Property |
| Tboil | 306.45 | K | Relay (1.0) Calculated Property |
| Tc | 499.20 | K | Relay (1.0) Calculated Property |
| Tfus | 158.15 | K | Jean-Claude Bradley Open Melting Point Dataset (2014, CC0) Compiled value |
| Vc | 0.243 | m3/kmol | Relay (1.0) Calculated Property |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [61.97; 95.87] | 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 | 2.74700e+01 | |||
| Coefficient B | 1.61500e-01 | |||
| Coefficient C | -1.42000e-04 | |||
| Coefficient D | 4.89000e-08 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 61.97 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 69.00 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 74.85 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 79.68 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 83.64 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 86.89 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 89.59 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 91.88 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 93.92 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 95.87 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Pvap | [1.33; 202.65] | kPa | [219.75; 330.68] |
The Yaws Handbook of Vapor Pressure
|
| Equation | ln(Y) = A + B/(T + C) Y is Pvap in kPa, T in K | |||
| Coefficient A | 1.52639e+01 | |||
| Coefficient B | -3.29108e+03 | |||
| Coefficient C | 0.00000e+00 | |||
| Temperature range, min. | 219.75 | |||
| Temperature range, max. | 330.68 | |||
| Pvap | 1.33 | kPa | 219.75 | Calculated Property |
| Pvap | 2.95 | kPa | 232.08 | Calculated Property |
| Pvap | 6.04 | kPa | 244.40 | Calculated Property |
| Pvap | 11.53 | kPa | 256.73 | Calculated Property |
| Pvap | 20.73 | kPa | 269.05 | Calculated Property |
| Pvap | 35.43 | kPa | 281.38 | Calculated Property |
| Pvap | 57.89 | kPa | 293.70 | Calculated Property |
| Pvap | 90.90 | kPa | 306.03 | Calculated Property |
| Pvap | 137.85 | kPa | 318.35 | Calculated Property |
| Pvap | 202.65 | kPa | 330.68 | Calculated Property |
Similar Compounds
Find more compounds similar to Methane, bromochlorofluoro-.
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).
- Cheméo Relay (1.0)
- Crippen Method
- Crippen Method
- Joback Method
- McGowan Method
- NIST Webbook
- The Yaws Handbook of Vapor Pressure
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