- InChI
- InChI=1S/CH3NO2/c3-1-2-4/h1,4H,(H,2,3)
- InChI Key
- KDGKTJGPFXIBEB-UHFFFAOYSA-N
- Formula
- CH3NO2
- SMILES
- O=CNO
- Molecular Weight1
- 61.04
- CAS
- 4312-87-2
- 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).
- ΔfusH° : Enthalpy of fusion at standard conditions (kJ/mol).
- ΔvapH° : Enthalpy of vaporization at standard conditions (kJ/mol).
- 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 |
|---|---|---|---|
| PAff | 834.70 | kJ/mol | NIST |
| BasG | 802.20 | kJ/mol | NIST |
| ΔfG° | -189.41 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -248.31 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 9.82 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 47.66 | kJ/mol | Joback Calculated Property |
| log10WS | 1.14 | Crippen Calculated Property | |
| logPoct/wat | -0.878 | Crippen Calculated Property | |
| McVol | 42.370 | ml/mol | McGowan Calculated Property |
| Pc | 7762.62 | kPa | Joback Calculated Property |
| Tboil | 413.29 | K | Joback Calculated Property |
| Tc | 589.97 | K | Joback Calculated Property |
| Tfus | 256.51 | K | Joback Calculated Property |
| Vc | 0.163 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [77.11; 93.89] | J/mol×K | [413.29; 589.97] | 
|
| Cp,gas | 77.11 | J/mol×K | 413.29 | Joback Calculated Property |
| Cp,gas | 80.23 | J/mol×K | 442.74 | Joback Calculated Property |
| Cp,gas | 83.22 | J/mol×K | 472.18 | Joback Calculated Property |
| Cp,gas | 86.08 | J/mol×K | 501.63 | Joback Calculated Property |
| Cp,gas | 88.81 | J/mol×K | 531.08 | Joback Calculated Property |
| Cp,gas | 91.41 | J/mol×K | 560.52 | Joback Calculated Property |
| Cp,gas | 93.89 | J/mol×K | 589.97 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to HCOONH2.
Sources
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