- InChI
- InChI=1S/CHBr2Cl/c2-1(3)4/h1H
- InChI Key
- GATVIKZLVQHOMN-UHFFFAOYSA-N
- Formula
- CHBr2Cl
- SMILES
- ClC(Br)Br
- Molecular Weight1
- 208.28
- Other Names
-
- CDBM
- CHClBr2
- Chlorobromoform
- Chlorodibromethane
- Dibromomonochloromethane
- Methane, chlorodibromo-
- Methane, dibromochloro-
- Monochlorodibromomethane
- NCI-C55254
- dibromo-chloromethane
- dibromochloromethane
- ω : Acentric Factor.
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- η : Dynamic viscosity (Pa×s).
- 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).
- Inp : Non-polar retention indices.
- Ip : 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 | 0.3850 | Relay (1.0) Calculated Property | |
| ΔfG° | -28.19 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -3.00 ± 5.50 | kJ/mol | Active Thermochemical Tables 1.112, gas-phase enthalpies of formation Compiled value |
| ΔfusH° | 9.59 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 40.54 | kJ/mol | Relay (1.0) Calculated Property |
| IE | [10.50; 10.69] | eV |
|
| IE | 10.59 ± 0.01 | eV | NIST |
| IE | 10.50 | eV | NIST |
| IE | 10.59 ± 0.01 | eV | NIST |
| IE | 10.69 | eV | NIST |
| log10WS | [-1.90; -1.90] |
|
|
| log10WS | -1.90 | Aq. Solubility Prediction | |
| log10WS | -1.90 | Estimated Solubility | |
| logPoct/wat | 2.299 | Crippen Calculated Property | |
| McVol | 72.190 | ml/mol | McGowan Calculated Property |
| Pc | 6886.93 | kPa | Joback Calculated Property |
| Inp | [759.00; 818.00] |
|
|
| Inp | 770.00 | NIST | |
| Inp | 770.00 | NIST | |
| Inp | 783.00 | NIST | |
| Inp | 792.00 | NIST | |
| Inp | 775.00 | NIST | |
| Inp | 766.50 | NIST | |
| Inp | 800.00 | NIST | |
| Inp | 764.00 | NIST | |
| Inp | 800.00 | NIST | |
| Inp | 809.00 | NIST | |
| Inp | 776.00 | NIST | |
| Inp | 783.00 | NIST | |
| Inp | Outlier 818.00 | NIST | |
| Inp | 768.00 | NIST | |
| Inp | 776.00 | NIST | |
| Inp | 759.00 | NIST | |
| Inp | 764.00 | NIST | |
| Inp | 800.00 | NIST | |
| Inp | 768.00 | NIST | |
| Ip | [1267.00; 1322.01] |
|
|
| Ip | 1267.00 | NIST | |
| Ip | 1310.00 | NIST | |
| Ip | 1316.36 | NIST | |
| Ip | 1322.01 | NIST | |
| Ip | 1304.75 | NIST | |
| Ip | 1267.00 | NIST | |
| Ip | 1310.00 | NIST | |
| Tboil | 384.37 | K | Relay (1.0) Calculated Property |
| Tc | 602.16 | K | Relay (1.0) Calculated Property |
| Tfus | [251.15; 251.82] | K |
|
| Tfus | 251.15 | K | Jean-Claude Bradley Open Melting Point Dataset (2014, CC0) Compiled value |
| Tfus | 251.82 | K | Aq. Solubility Prediction |
| Vc | 0.286 | m3/kmol | Relay (1.0) Calculated Property |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [67.76; 97.87] | 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 | 2.95700e+01 | |||
| Coefficient B | 1.87900e-01 | |||
| Coefficient C | -1.97000e-04 | |||
| Coefficient D | 7.74000e-08 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 67.76 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 74.82 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 80.37 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 84.68 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 87.97 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 90.50 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 92.51 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 94.25 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 95.95 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 97.87 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0028488; 0.0003953] | Pa×s | [251.49; 433.42] |
Joback Predicted correlation
|
| Equation | Y = exp(A + B/T + C·ln(T) + D·T^E) Y is η in Pa×s, T in K | |||
| Coefficient A | -1.05661e+01 | |||
| Coefficient B | 1.18330e+03 | |||
| Coefficient C | 0.00000e+00 | |||
| Coefficient D | 0.00000e+00 | |||
| Coefficient E | 0.00000e+00 | |||
| Comment | Liquid phase. Joback/Reid (1987), valid from Tf to 0.7·Tc. | |||
| Temperature range, min. | 251.49 | |||
| Temperature range, max. | 433.42 | |||
| η | 0.0028488 | Pa×s | 251.49 | Calculated Property |
| η | 0.0020073 | Pa×s | 271.70 | Calculated Property |
| η | 0.0014847 | Pa×s | 291.91 | Calculated Property |
| η | 0.0011419 | Pa×s | 312.13 | Calculated Property |
| η | 0.0009067 | Pa×s | 332.34 | Calculated Property |
| η | 0.0007393 | Pa×s | 352.56 | Calculated Property |
| η | 0.0006163 | Pa×s | 372.77 | Calculated Property |
| η | 0.0005234 | Pa×s | 392.99 | Calculated Property |
| η | 0.0004517 | Pa×s | 413.20 | Calculated Property |
| η | 0.0003953 | Pa×s | 433.42 | Calculated Property |
Similar Compounds
Find more compounds similar to CHLORODIBROMOMETHANE.
Mixtures
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
- Determination of Henry's Law Constants Using Internal Standards with Benchmark Values
- Joback Method
- Aqueous Solubility Prediction Method
- Estimated Solubility Method
- McGowan Method
- NIST Webbook
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