- InChI
- InChI=1S/CH5NO/c2-1-3/h3H,1-2H2
- InChI Key
- XMYQHJDBLRZMLW-UHFFFAOYSA-N
- Formula
- CHNO
- SMILES
- NCO
- 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).
- 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).
- 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 | 0.5868 | Relay (1.0) Calculated Property | |
| EA | 0.67 ± 0.03 | eV | NIST |
| ΔfG° | -112.83 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -177.23 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 7.63 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 51.69 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 10.16 | eV | Relay (1.0) Calculated Property |
| log10WS | 1.75 | Relay (1.0) Calculated Property | |
| logPoct/wat | -1.105 | Crippen Calculated Property | |
| McVol | 40.800 | ml/mol | McGowan Calculated Property |
| Pc | 7367.98 | kPa | Joback Calculated Property |
| Tboil | 419.90 | K | Relay (1.0) Calculated Property |
| Tc | 640.25 | K | Relay (1.0) Calculated Property |
| Tfus | 330.98 | K | Relay (1.0) Calculated Property |
| Vc | 0.156 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [74.72; 94.44] | J/mol×K | [386.99; 566.24] | 
|
| Cp,gas | 74.72 | J/mol×K | 386.99 | Joback Calculated Property |
| Cp,gas | 78.34 | J/mol×K | 416.87 | Joback Calculated Property |
| Cp,gas | 81.82 | J/mol×K | 446.74 | Joback Calculated Property |
| Cp,gas | 85.17 | J/mol×K | 476.62 | Joback Calculated Property |
| Cp,gas | 88.39 | J/mol×K | 506.49 | Joback Calculated Property |
| Cp,gas | 91.47 | J/mol×K | 536.37 | Joback Calculated Property |
| Cp,gas | 94.44 | J/mol×K | 566.24 | Joback Calculated Property |
| ΔvapH | 30.70 | kJ/mol | 250.50 | NIST |
Similar Compounds
Find more compounds similar to Cyanic acid.
Sources
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