- InChI
- InChI=1S/C9H10N2O4/c1-15-6-9(12)10-7-3-2-4-8(5-7)11(13)14/h2-5H,6H2,1H3,(H,10,12)
- InChI Key
- SDMUCJMMXQIJMS-UHFFFAOYSA-N
- Formula
- C9H10N2O4
- SMILES
-
COCC(=O)Nc1cccc([N+](=O)[O-])c
1 - Molecular Weight1
- 210.19
- ω : Acentric Factor.
- 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).
- 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).
- Inp : Non-polar retention indices.
- 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 | 0.7049 | Relay (1.0) Calculated Property | |
| ΔfG° | 18.70 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -257.34 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 31.96 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 86.91 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.84 | eV | Relay (1.0) Calculated Property |
| log10WS | -1.95 | Relay (1.0) Calculated Property | |
| logPoct/wat | 1.180 | Crippen Calculated Property | |
| McVol | 148.750 | ml/mol | McGowan Calculated Property |
| Pc | 3480.65 | kPa | Joback Calculated Property |
| Inp | 1875.00 | NIST | |
| Tboil | 587.41 | K | Relay (1.0) Calculated Property |
| Tc | 864.97 | K | Relay (1.0) Calculated Property |
| Tfus | 389.27 | K | Relay (1.0) Calculated Property |
| Vc | 0.512 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [392.33; 445.94] | J/mol×K | [715.28; 954.78] | 
|
| Cp,gas | 392.33 | J/mol×K | 715.28 | Joback Calculated Property |
| Cp,gas | 403.45 | J/mol×K | 755.20 | Joback Calculated Property |
| Cp,gas | 413.66 | J/mol×K | 795.11 | Joback Calculated Property |
| Cp,gas | 423.00 | J/mol×K | 835.03 | Joback Calculated Property |
| Cp,gas | 431.47 | J/mol×K | 874.95 | Joback Calculated Property |
| Cp,gas | 439.11 | J/mol×K | 914.87 | Joback Calculated Property |
| Cp,gas | 445.94 | J/mol×K | 954.78 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Acetamide, N-(3-nitrophenyl)-2-methoxy-.
Sources
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