- InChI
- InChI=1S/CHNO/c2-1-3/h2H
- InChI Key
- OWIKHYCFFJSOEH-UHFFFAOYSA-N
- Formula
- CHNO
- SMILES
- N=C=O
- Molecular Weight1
- 43.02
- CAS
- 75-13-8
- 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).
- 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).
- Tboil : Normal Boiling Point 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 | 753.00 | kJ/mol | NIST |
| BasG | 718.80 | kJ/mol | NIST |
| ΔfG° | 59.41 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -97.00 ± 13.00 | kJ/mol | NIST |
| ΔvapH° | 36.04 | kJ/mol | Joback Calculated Property |
| IE | [11.60; 11.62] | eV |
|
| IE | 11.60 ± 0.01 | eV | NIST |
| IE | 11.60 ± 0.01 | eV | NIST |
| IE | 11.62 ± 0.02 | eV | NIST |
| IE | 11.60 ± 0.01 | eV | NIST |
| log10WS | -5.49 | Crippen Calculated Property | |
| logPoct/wat | -0.099 | Crippen Calculated Property | |
| McVol | 32.200 | ml/mol | McGowan Calculated Property |
| Tboil | 296.73 | K | Joback Calculated Property |
| Tfus | 211.27 | K | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [17.53; 40.50] | J/mol×K | [100.12; 296.73] |
|
| Cp,gas | 17.53 | J/mol×K | 100.12 | Joback Calculated Property |
| Cp,gas | 17.53 | J/mol×K | 100.12 | Joback Calculated Property |
| Cp,gas | 17.53 | J/mol×K | 100.12 | Joback Calculated Property |
| Cp,gas | 17.53 | J/mol×K | 100.12 | Joback Calculated Property |
| Cp,gas | 17.53 | J/mol×K | 100.12 | Joback Calculated Property |
| Cp,gas | 17.53 | J/mol×K | 100.12 | Joback Calculated Property |
| Cp,gas | 40.50 | J/mol×K | 296.73 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Isocyanic acid.
Sources
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