- InChI
- InChI=1S/CBrN/c2-1-3
- InChI Key
- ATDGTVJJHBUTRL-UHFFFAOYSA-N
- Formula
- CBrN
- SMILES
- N#CBr
- Molecular Weight1
- 105.92
- CAS
- 506-68-3
- Other Names
-
- (CN)Br
- BrCN
- Bromine cyanide
- Bromine cyanide (BrCN)
- Bromine monocyanide
- Bromocyan
- Bromocyanide
- Bromocyanide (BrCN)
- Bromocyanogen
- Bromure de cyanogen
- Campilit
- Cyanobromide
- Cyanogen bromide ((CN)Br)
- Cyanogen bromide (BrCN)
- Cyanogen monobromide
- NSC 89684
- Rcra waste number U246
- TL 822
- UN 1889
- ω : Acentric Factor.
- PAff : Proton affinity (kJ/mol).
- BasG : Gas basicity (kJ/mol).
- 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).
- ΔfH°solid : Solid phase enthalpy of formation at standard conditions (kJ/mol).
- ΔfusH° : Enthalpy of fusion at standard conditions (kJ/mol).
- ΔsubH° : Enthalpy of sublimation at standard conditions (kJ/mol).
- ΔsubH : Enthalpy of sublimation at a given temperature (kJ/mol).
- ΔvapH° : Enthalpy of vaporization at standard conditions (kJ/mol).
- IE : Ionization energy (eV).
- logPoct/wat : Octanol/Water partition coefficient.
- McVol : McGowan's characteristic volume (ml/mol).
- Pc : Critical Pressure (kPa).
- Pvap : Vapor pressure (kPa).
- Inp : Non-polar retention indices.
- Tboil : Normal Boiling Point Temperature (K).
- Tc : Critical Temperature (K).
- Tfus : Normal melting (fusion) point (K).
- 1: Molecular weight from the IUPAC atomic weights tables.
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Physical Properties
| Property | Value | Unit | Source |
|---|---|---|---|
| ω | 0.3329 | Relay (1.0) Calculated Property | |
| PAff | 749.80 | kJ/mol | NIST |
| BasG | 719.20 | kJ/mol | NIST |
| ΔfG° | 105.04 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | [180.75; 185.60] | kJ/mol |
|
| ΔfH°gas | 180.75 ± 0.78 | kJ/mol | Active Thermochemical Tables 1.112, gas-phase enthalpies of formation Compiled value |
| ΔfH°gas | 185.60 ± 6.00 | kJ/mol | NIST |
| ΔfH°solid | 140.40 ± 4.30 | kJ/mol | NIST |
| ΔfusH° | 5.14 | kJ/mol | Joback Calculated Property |
| ΔsubH° | 45.23 | kJ/mol | NIST |
| ΔvapH° | 33.30 | kJ/mol | Relay (1.0) Calculated Property |
| IE | [11.84; 12.00] | eV |
|
| IE | 12.00 ± 1.00 | eV | NIST |
| IE | 11.88 | eV | NIST |
| IE | 11.85 ± 0.02 | eV | NIST |
| IE | 11.84 ± 0.01 | eV | NIST |
| logPoct/wat | 0.862 | Crippen Calculated Property | |
| McVol | 43.830 | ml/mol | McGowan Calculated Property |
| Pc | 6200.01 | kPa | Joback Calculated Property |
| Inp | [482.00; 482.00] |
|
|
| Inp | 482.00 | NIST | |
| Inp | 482.00 | NIST | |
| Tboil | 327.07 | K | Relay (1.0) Calculated Property |
| Tc | 569.38 | K | Relay (1.0) Calculated Property |
| Tfus | 325.15 | K | Jean-Claude Bradley Open Melting Point Dataset (2014, CC0) Compiled value |
Cheméo can also estimate Critical Volume, Log10 of Water solubility in mol/l for this compound, but they fall outside the models' validated range, so they are not shown here. Open the prediction tool to compute them on demand.
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| ΔsubH | [45.20; 47.00] | kJ/mol | [282.00; 293.00] |
|
| ΔsubH | 47.00 | kJ/mol | 282.00 | NIST |
| ΔsubH | 45.20 ± 4.20 | kJ/mol | 290.50 | NIST |
| ΔsubH | 45.20 ± 4.20 | kJ/mol | 290.50 | NIST |
| ΔsubH | 45.90 | kJ/mol | 293.00 | NIST |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [47.12; 60.18] | J/mol×K | [298.00; 1300.00] |
NIST
|
| Equation | Y = A + B·t + C·t² + D·t³ + E/t², t = T/1000 Y is Cp,gas in J/mol×K, T in K | |||
| Coefficient A | 4.64625e+01 | |||
| Coefficient B | 1.55008e+01 | |||
| Coefficient C | -2.87066e+00 | |||
| Coefficient D | -6.31956e-01 | |||
| Coefficient E | -3.27555e-01 | |||
| Reference | Chase, 1998 | |||
| Comment | F=170.5700, G=298.2485, H=186.1880; Data last reviewed in June, 1969 | |||
| Temperature range, min. | 298.00 | |||
| Temperature range, max. | 1300.00 | |||
| Cp,gas | 47.12 | J/mol×K | 298.00 | Calculated Property |
| Cp,gas | 50.33 | J/mol×K | 409.33 | Calculated Property |
| Cp,gas | 52.46 | J/mol×K | 520.67 | Calculated Property |
| Cp,gas | 54.13 | J/mol×K | 632.00 | Calculated Property |
| Cp,gas | 55.55 | J/mol×K | 743.33 | Calculated Property |
| Cp,gas | 56.77 | J/mol×K | 854.67 | Calculated Property |
| Cp,gas | 57.84 | J/mol×K | 966.00 | Calculated Property |
| Cp,gas | 58.76 | J/mol×K | 1077.33 | Calculated Property |
| Cp,gas | 59.54 | J/mol×K | 1188.67 | Calculated Property |
| Cp,gas | 60.18 | J/mol×K | 1300.00 | Calculated Property |
| Cp,gas | [60.17; 69.09] | J/mol×K | [1300.00; 6000.00] |
NIST
|
| Equation | Y = A + B·t + C·t² + D·t³ + E/t², t = T/1000 Y is Cp,gas in J/mol×K, T in K | |||
| Coefficient A | 6.03115e+01 | |||
| Coefficient B | 2.21104e+00 | |||
| Coefficient C | -2.00183e-01 | |||
| Coefficient D | 1.31720e-02 | |||
| Coefficient E | -4.57462e+00 | |||
| Reference | Chase, 1998 | |||
| Comment | F=158.1088, G=307.9006, H=186.1880; Data last reviewed in June, 1969 | |||
| Temperature range, min. | 1300.00 | |||
| Temperature range, max. | 6000.00 | |||
| Cp,gas | 60.17 | J/mol×K | 1300.00 | Calculated Property |
| Cp,gas | 62.38 | J/mol×K | 1822.22 | Calculated Property |
| Cp,gas | 63.73 | J/mol×K | 2344.44 | Calculated Property |
| Cp,gas | 64.76 | J/mol×K | 2866.67 | Calculated Property |
| Cp,gas | 65.62 | J/mol×K | 3388.89 | Calculated Property |
| Cp,gas | 66.39 | J/mol×K | 3911.11 | Calculated Property |
| Cp,gas | 67.09 | J/mol×K | 4433.33 | Calculated Property |
| Cp,gas | 67.77 | J/mol×K | 4955.56 | Calculated Property |
| Cp,gas | 68.43 | J/mol×K | 5477.78 | Calculated Property |
| Cp,gas | 69.09 | J/mol×K | 6000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Pvap | [1.00; 203.64] | kPa | [260.15; 351.57] |
The Yaws Handbook of Vapor Pressure
|
| Equation | ln(Y) = A + B/(T + C) Y is Pvap in kPa, T in K | |||
| Coefficient A | 1.56682e+01 | |||
| Coefficient B | -2.78893e+03 | |||
| Coefficient C | -8.21550e+01 | |||
| Temperature range, min. | 260.15 | |||
| Temperature range, max. | 351.57 | |||
| Pvap | 1.00 | kPa | 260.15 | Calculated Property |
| Pvap | 2.33 | kPa | 270.31 | Calculated Property |
| Pvap | 4.98 | kPa | 280.47 | Calculated Property |
| Pvap | 9.87 | kPa | 290.62 | Calculated Property |
| Pvap | 18.39 | kPa | 300.78 | Calculated Property |
| Pvap | 32.39 | kPa | 310.94 | Calculated Property |
| Pvap | 54.39 | kPa | 321.10 | Calculated Property |
| Pvap | 87.54 | kPa | 331.25 | Calculated Property |
| Pvap | 135.75 | kPa | 341.41 | Calculated Property |
| Pvap | 203.64 | kPa | 351.57 | Calculated Property |
| Pvap | [2.81; 36.54] | kPa | [273.01; 313.09] |
NIST
|
| Equation | ln(Y) = A + B/(T + C) Y is Pvap in kPa, T in K | |||
| Coefficient A | 1.27487e+01 | |||
| Coefficient B | -1.67487e+03 | |||
| Coefficient C | -1.30052e+02 | |||
| Reference | Lord and Woolf, 1954 | |||
| Comment | Coefficents calculated by NIST from author's data. | |||
| Temperature range, min. | 273.01 | |||
| Temperature range, max. | 313.09 | |||
| Pvap | 2.81 | kPa | 273.01 | Calculated Property |
| Pvap | 4.00 | kPa | 277.46 | Calculated Property |
| Pvap | 5.58 | kPa | 281.92 | Calculated Property |
| Pvap | 7.65 | kPa | 286.37 | Calculated Property |
| Pvap | 10.29 | kPa | 290.82 | Calculated Property |
| Pvap | 13.62 | kPa | 295.28 | Calculated Property |
| Pvap | 17.78 | kPa | 299.73 | Calculated Property |
| Pvap | 22.88 | kPa | 304.18 | Calculated Property |
| Pvap | 29.08 | kPa | 308.64 | Calculated Property |
| Pvap | 36.54 | kPa | 313.09 | Calculated Property |
Similar Compounds
Find more compounds similar to Cyanogen bromide.
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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