- InChI
- InChI=1S/CHNO/c2-1-3/h3H
- InChI Key
- XLJMAIOERFSOGZ-UHFFFAOYSA-N
- Formula
- CHNO
- SMILES
- N#CO
- Molecular Weight1
- 43.02
- CAS
- 420-05-3
- ω : Acentric Factor.
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- EA : Electron affinity (eV).
- 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).
- 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 |
|---|---|---|---|
| ω | 0.5071 | Relay (1.0) Calculated Property | |
| EA | 0.67 ± 0.03 | eV | NIST |
| ΔfG° | -46.10 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -14.86 ± 1.01 | kJ/mol | Active Thermochemical Tables 1.112, gas-phase enthalpies of formation Compiled value |
| ΔfusH° | 3.94 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 56.09 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 11.26 | eV | Relay (1.0) Calculated Property |
| logPoct/wat | -0.160 | Crippen Calculated Property | |
| McVol | 32.200 | ml/mol | McGowan Calculated Property |
| Pc | 6430.83 | kPa | Joback Calculated Property |
| Tboil | 394.63 | K | Relay (1.0) Calculated Property |
| Tc | 599.22 | K | Relay (1.0) Calculated Property |
| Tfus | 187.15 | 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 |
|---|---|---|---|---|
| ΔvapH | 30.70 | kJ/mol | 250.50 | NIST |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [40.57; 66.07] | 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 | 2.42700e+01 | |||
| Coefficient B | 6.76000e-02 | |||
| Coefficient C | -3.00000e-05 | |||
| Coefficient D | 4.20000e-09 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 40.57 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 44.62 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 48.33 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 51.71 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 54.80 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 57.58 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 60.09 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 62.33 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 64.32 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 66.07 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Pvap | [1.33; 202.64] | kPa | [219.77; 314.89] |
The Yaws Handbook of Vapor Pressure
|
| Equation | ln(Y) = A + B/(T + C) Y is Pvap in kPa, T in K | |||
| Coefficient A | 1.53676e+01 | |||
| Coefficient B | -2.87137e+03 | |||
| Coefficient C | -2.93580e+01 | |||
| Temperature range, min. | 219.77 | |||
| Temperature range, max. | 314.89 | |||
| Pvap | 1.33 | kPa | 219.77 | Calculated Property |
| Pvap | 2.95 | kPa | 230.34 | Calculated Property |
| Pvap | 6.02 | kPa | 240.91 | Calculated Property |
| Pvap | 11.48 | kPa | 251.48 | Calculated Property |
| Pvap | 20.65 | kPa | 262.05 | Calculated Property |
| Pvap | 35.30 | kPa | 272.61 | Calculated Property |
| Pvap | 57.70 | kPa | 283.18 | Calculated Property |
| Pvap | 90.69 | kPa | 293.75 | Calculated Property |
| Pvap | 137.67 | kPa | 304.32 | Calculated Property |
| Pvap | 202.64 | kPa | 314.89 | Calculated Property |
| Pvap | [0.17; 26.89] | kPa | [196.88; 267.21] |
NIST
|
| Equation | ln(Y) = A + B/(T + C) Y is Pvap in kPa, T in K | |||
| Coefficient A | 1.54043e+01 | |||
| Coefficient B | -2.88329e+03 | |||
| Coefficient C | -2.91670e+01 | |||
| Reference | Linhard, 1938 | |||
| Comment | Coefficents calculated by NIST from author's data. | |||
| Temperature range, min. | 196.88 | |||
| Temperature range, max. | 267.21 | |||
| Pvap | 0.17 | kPa | 196.88 | Calculated Property |
| Pvap | 0.36 | kPa | 204.69 | Calculated Property |
| Pvap | 0.72 | kPa | 212.51 | Calculated Property |
| Pvap | 1.38 | kPa | 220.32 | Calculated Property |
| Pvap | 2.49 | kPa | 228.14 | Calculated Property |
| Pvap | 4.31 | kPa | 235.95 | Calculated Property |
| Pvap | 7.16 | kPa | 243.77 | Calculated Property |
| Pvap | 11.48 | kPa | 251.58 | Calculated Property |
| Pvap | 17.83 | kPa | 259.40 | Calculated Property |
| Pvap | 26.89 | kPa | 267.21 | Calculated Property |
Similar Compounds
Find more compounds similar to Cyanic acid.
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
- KDB
- McGowan Method
- NIST Webbook
- The Yaws Handbook of Vapor Pressure
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