- InChI
- InChI=1S/C9H10N2O3/c1-6-3-4-8(10-7(2)12)9(5-6)11(13)14/h3-5H,1-2H3,(H,10,12)
- InChI Key
- LQZGUJSFLJIJKA-UHFFFAOYSA-N
- Formula
- C9H10N2O3
- SMILES
- CC(=O)Nc1ccc(C)cc1[N+](=O)[O-]
- Molecular Weight1
- 194.19
- CAS
- 612-45-3
- Other Names
-
- Acetamide, N-(4-methyl-2-nitrophenyl)-
- p-Acetotoluidide, 2'-nitro-
- 2'-Nitro-p-acetotoluidide
- N-(4-methyl-2-nitrophenyl)acetamide
- 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).
- 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 | 0.6511 | Relay (1.0) Calculated Property | |
| ΔfG° | 114.07 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -161.90 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 30.39 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 78.50 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.63 | eV | Relay (1.0) Calculated Property |
| log10WS | -2.89 | Relay (1.0) Calculated Property | |
| logPoct/wat | 1.862 | Crippen Calculated Property | |
| McVol | 142.880 | ml/mol | McGowan Calculated Property |
| Pc | 3488.88 | kPa | Joback Calculated Property |
| Tboil | 569.90 | K | Relay (1.0) Calculated Property |
| Tc | 840.70 | K | Relay (1.0) Calculated Property |
| Tfus | 391.28 | K | Relay (1.0) Calculated Property |
| Vc | 0.502 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [367.33; 422.12] | J/mol×K | [697.84; 941.94] | 
|
| Cp,gas | 367.33 | J/mol×K | 697.84 | Joback Calculated Property |
| Cp,gas | 378.53 | J/mol×K | 738.52 | Joback Calculated Property |
| Cp,gas | 388.85 | J/mol×K | 779.21 | Joback Calculated Property |
| Cp,gas | 398.34 | J/mol×K | 819.89 | Joback Calculated Property |
| Cp,gas | 407.02 | J/mol×K | 860.58 | Joback Calculated Property |
| Cp,gas | 414.93 | J/mol×K | 901.26 | Joback Calculated Property |
| Cp,gas | 422.12 | J/mol×K | 941.94 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 4'-Methyl-2'-nitroacetanilide.
Sources
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