- InChI
- InChI=1S/C10H9N3O3/c1-12(7-6-11)10(14)8-2-4-9(5-3-8)13(15)16/h2-5H,7H2,1H3
- InChI Key
- OVQZFYYQTWBVNY-UHFFFAOYSA-N
- Formula
- C10H9N3O3
- SMILES
-
CN(CC#N)C(=O)c1ccc([N+](=O)[O-
])cc1 - Molecular Weight1
- 219.20
- CAS
- 22978-12-7
- 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 |
|---|---|---|---|
| ΔfG° | 286.69 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | 84.40 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 32.79 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 76.65 | kJ/mol | Joback Calculated Property |
| log10WS | -2.55 | Crippen Calculated Property | |
| logPoct/wat | 1.190 | Crippen Calculated Property | |
| McVol | 158.350 | ml/mol | McGowan Calculated Property |
| Pc | 3038.96 | kPa | Joback Calculated Property |
| Tboil | 780.09 | K | Joback Calculated Property |
| Tc | 1027.44 | K | Joback Calculated Property |
| Tfus | 532.40 | K | Joback Calculated Property |
| Vc | 0.620 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [421.50; 467.28] | J/mol×K | [780.09; 1027.44] | 
|
| Cp,gas | 421.50 | J/mol×K | 780.09 | Joback Calculated Property |
| Cp,gas | 431.09 | J/mol×K | 821.32 | Joback Calculated Property |
| Cp,gas | 439.81 | J/mol×K | 862.54 | Joback Calculated Property |
| Cp,gas | 447.73 | J/mol×K | 903.77 | Joback Calculated Property |
| Cp,gas | 454.90 | J/mol×K | 944.99 | Joback Calculated Property |
| Cp,gas | 461.40 | J/mol×K | 986.22 | Joback Calculated Property |
| Cp,gas | 467.28 | J/mol×K | 1027.44 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Benzamide, n-(cyanomethyl)-n-methyl-4-nitro-.
Sources
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