- InChI
- InChI=1S/C9H10N2O3/c1-10(2)9(12)7-4-3-5-8(6-7)11(13)14/h3-6H,1-2H3
- InChI Key
- DKWDGIRXGDSOST-UHFFFAOYSA-N
- Formula
- C9H10N2O3
- SMILES
-
CN(C)C(=O)c1cccc([N+](=O)[O-])
c1 - Molecular Weight1
- 194.19
- CAS
- 7291-02-3
- 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 | 900.90 | kJ/mol | NIST |
| BasG | 869.90 | kJ/mol | NIST |
| ΔfG° | 145.09 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -59.84 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 28.70 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 63.95 | kJ/mol | Joback Calculated Property |
| log10WS | -2.27 | Crippen Calculated Property | |
| logPoct/wat | 1.297 | Crippen Calculated Property | |
| McVol | 142.880 | ml/mol | McGowan Calculated Property |
| Pc | 3488.88 | kPa | Joback Calculated Property |
| Tboil | 655.13 | K | Joback Calculated Property |
| Tc | 897.20 | K | Joback Calculated Property |
| Tfus | 456.14 | K | Joback Calculated Property |
| Vc | 0.537 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [359.35; 418.50] | J/mol×K | [655.13; 897.20] | 
|
| Cp,gas | 359.35 | J/mol×K | 655.13 | Joback Calculated Property |
| Cp,gas | 371.46 | J/mol×K | 695.48 | Joback Calculated Property |
| Cp,gas | 382.60 | J/mol×K | 735.82 | Joback Calculated Property |
| Cp,gas | 392.81 | J/mol×K | 776.17 | Joback Calculated Property |
| Cp,gas | 402.17 | J/mol×K | 816.51 | Joback Calculated Property |
| Cp,gas | 410.71 | J/mol×K | 856.86 | Joback Calculated Property |
| Cp,gas | 418.50 | J/mol×K | 897.20 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 3-NO2-C6H4CON(CH3)2.
Sources
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