- InChI
- InChI=1S/CClN/c2-1-3
- InChI Key
- QPJDMGCKMHUXFD-UHFFFAOYSA-N
- Formula
- CClN
- SMILES
- N#CCl
- Molecular Weight1
- 61.47
- CAS
- 506-77-4
- Other Names
-
- CK
- CNCl
- Chlorcyan
- Chlorine cyanide
- Chlorine cyanide (ClCN)
- Chlorocyan
- Chlorocyanide
- Chlorocyanide (ClCN)
- Chlorocyanogen
- Chlorure de cyanogene
- ClCN
- Cyanochloride
- Cyanochloride (CNCll)
- Cyanogen chloride ((CN)Cl)
- Cyanogen chloride (ClCN)
- Rcra waste number P033
- PAff : Proton affinity (kJ/mol).
- BasG : Gas basicity (kJ/mol).
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- 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 a given temperature (kJ/mol).
- ΔvapH : Enthalpy of vaporization at a given temperature (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).
- 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 |
|---|---|---|---|
| PAff | 722.10 | kJ/mol | NIST |
| BasG | 691.50 | kJ/mol | NIST |
| ΔfH°gas | 135.74 ± 0.45 | kJ/mol | Active Thermochemical Tables 1.112, gas-phase enthalpies of formation Compiled value |
| ΔfH°solid | 137.80 ± 4.20 | kJ/mol | NIST |
| ΔfusH° | 4.05 | kJ/mol | Joback Calculated Property |
| IE | [12.34; 12.37] | eV |
|
| IE | 12.36 ± 0.02 | eV | NIST |
| IE | 12.37 | eV | NIST |
| IE | 12.34 | eV | NIST |
| IE | 12.37 ± 0.02 | eV | NIST |
| IE | 12.34 ± 0.01 | eV | NIST |
| logPoct/wat | 0.706 | Crippen Calculated Property | |
| McVol | 38.570 | ml/mol | McGowan Calculated Property |
| Pc | 5992.00 | kPa | Air Liquide Gas Encyclopedia |
| Tboil | 286.15 | K | KDB |
| Tc | 448.15 | K | Air Liquide Gas Encyclopedia |
| Tfus | 266.65 | K | KDB |
Cheméo can also estimate Critical Volume, Enthalpy of vaporization at standard conditions, Standard Gibbs free energy of formation, Acentric Factor, 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 | 35.70 | kJ/mol | 227.50 | NIST |
| ΔvapH | 32.20 | kJ/mol | 241.00 | NIST |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [45.26; 52.83] | J/mol×K | [298.00; 600.00] |
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 | 1.89230e+01 | |||
| Coefficient B | 1.35023e+02 | |||
| Coefficient C | -1.99863e+02 | |||
| Coefficient D | 1.14068e+02 | |||
| Coefficient E | 7.41490e-02 | |||
| Reference | Chase, 1998 | |||
| Comment | F=128.0898, G=227.2644, H=137.9461; Data last reviewed in June, 1966 | |||
| Temperature range, min. | 298.00 | |||
| Temperature range, max. | 600.00 | |||
| Cp,gas | 45.26 | J/mol×K | 298.00 | Calculated Property |
| Cp,gas | 46.55 | J/mol×K | 331.56 | Calculated Property |
| Cp,gas | 47.69 | J/mol×K | 365.11 | Calculated Property |
| Cp,gas | 48.68 | J/mol×K | 398.67 | Calculated Property |
| Cp,gas | 49.55 | J/mol×K | 432.22 | Calculated Property |
| Cp,gas | 50.32 | J/mol×K | 465.78 | Calculated Property |
| Cp,gas | 51.01 | J/mol×K | 499.33 | Calculated Property |
| Cp,gas | 51.64 | J/mol×K | 532.89 | Calculated Property |
| Cp,gas | 52.24 | J/mol×K | 566.44 | Calculated Property |
| Cp,gas | 52.83 | J/mol×K | 600.00 | Calculated Property |
| Cp,gas | [52.54; 69.11] | J/mol×K | [600.00; 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 | 5.49564e+01 | |||
| Coefficient B | 5.93530e+00 | |||
| Coefficient C | -1.08767e+00 | |||
| Coefficient D | 8.21800e-02 | |||
| Coefficient E | -2.01914e+00 | |||
| Reference | Chase, 1998 | |||
| Comment | F=115.5742, G=292.5988, H=137.9461; Data last reviewed in June, 1966 | |||
| Temperature range, min. | 600.00 | |||
| Temperature range, max. | 6000.00 | |||
| Cp,gas | 52.54 | J/mol×K | 600.00 | Calculated Property |
| Cp,gas | 59.25 | J/mol×K | 1200.00 | Calculated Property |
| Cp,gas | 61.97 | J/mol×K | 1800.00 | Calculated Property |
| Cp,gas | 63.72 | J/mol×K | 2400.00 | Calculated Property |
| Cp,gas | 64.97 | J/mol×K | 3000.00 | Calculated Property |
| Cp,gas | 65.91 | J/mol×K | 3600.00 | Calculated Property |
| Cp,gas | 66.67 | J/mol×K | 4200.00 | Calculated Property |
| Cp,gas | 67.39 | J/mol×K | 4800.00 | Calculated Property |
| Cp,gas | 68.16 | J/mol×K | 5400.00 | Calculated Property |
| Cp,gas | 69.11 | J/mol×K | 6000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Pvap | [1.33; 202.67] | kPa | [217.83; 303.07] |
The Yaws Handbook of Vapor Pressure
|
| Equation | ln(Y) = A + B/(T + C) Y is Pvap in kPa, T in K | |||
| Coefficient A | 1.42163e+01 | |||
| Coefficient B | -2.10447e+03 | |||
| Coefficient C | -6.67380e+01 | |||
| Temperature range, min. | 217.83 | |||
| Temperature range, max. | 303.07 | |||
| Pvap | 1.33 | kPa | 217.83 | Calculated Property |
| Pvap | 3.03 | kPa | 227.30 | Calculated Property |
| Pvap | 6.29 | kPa | 236.77 | Calculated Property |
| Pvap | 12.09 | kPa | 246.24 | Calculated Property |
| Pvap | 21.76 | kPa | 255.71 | Calculated Property |
| Pvap | 37.03 | kPa | 265.19 | Calculated Property |
| Pvap | 60.02 | kPa | 274.66 | Calculated Property |
| Pvap | 93.29 | kPa | 284.13 | Calculated Property |
| Pvap | 139.75 | kPa | 293.60 | Calculated Property |
| Pvap | 202.67 | kPa | 303.07 | Calculated Property |
| Pvap | [0.13; 106.87] | kPa | [196.50; 286.30] |
NIST
|
| Equation | ln(Y) = A + B/(T + C) Y is Pvap in kPa, T in K | |||
| Coefficient A | 1.53393e+01 | |||
| Coefficient B | -2.47321e+03 | |||
| Coefficient C | -5.44580e+01 | |||
| Reference | Stull, 1947 | |||
| Comment | Coefficents calculated by NIST from author's data. | |||
| Temperature range, min. | 196.50 | |||
| Temperature range, max. | 286.30 | |||
| Pvap | 0.13 | kPa | 196.50 | Calculated Property |
| Pvap | 0.39 | kPa | 206.48 | Calculated Property |
| Pvap | 1.08 | kPa | 216.46 | Calculated Property |
| Pvap | 2.61 | kPa | 226.43 | Calculated Property |
| Pvap | 5.74 | kPa | 236.41 | Calculated Property |
| Pvap | 11.63 | kPa | 246.39 | Calculated Property |
| Pvap | 21.98 | kPa | 256.37 | Calculated Property |
| Pvap | 39.13 | kPa | 266.34 | Calculated Property |
| Pvap | 66.15 | kPa | 276.32 | Calculated Property |
| Pvap | 106.87 | kPa | 286.30 | Calculated Property |
Similar Compounds
Find more compounds similar to Cyanogen chloride.
Sources
- Air Liquide Gas Encyclopedia
- 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.
- Crippen Method
- Crippen Method
- Joback Method
- KDB
- McGowan Method
- NIST Webbook
- The Yaws Handbook of Vapor Pressure
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