- InChI
- InChI=1S/C8H8N2O3/c1-6(11)9-7-2-4-8(5-3-7)10(12)13/h2-5H,1H3,(H,9,11)
- InChI Key
- NQRLPDFELNCFHW-UHFFFAOYSA-N
- Formula
- C8H8N2O3
- SMILES
- CC(=O)Nc1ccc([N+](=O)[O-])cc1
- Molecular Weight1
- 180.16
- CAS
- 104-04-1
- Other Names
-
- 1-Nitro-4-acetylaminobenzene
- 4'-Nitroacetanilide
- 4-(Acetylamino)nitrobenzene
- 4-Nitroacetanilide
- Acetanilide, 4'-nitro-
- Acetanilide, p-nitro-
- N-(4-Nitrophenyl)acetamide
- N-(4-Nitrophenyl)acetic acid amide
- N-(p-Nitrophenyl)acetamide
- N-Acetyl-4-nitroaniline
- N-Acetyl-4-nitrobenzenamine
- N-Acetyl-p-nitroaniline
- NSC 1315
- p-Acetamidonitrobenzene
- p-Nitroacetanilide
- p-Nitrophenylacetanilide
- ω : Acentric Factor.
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- Cp,solid : Solid phase 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 | 0.6330 | Relay (1.0) Calculated Property | |
| ΔfG° | 115.28 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -136.02 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 28.19 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 86.83 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.10 ± 0.20 | eV | NIST |
| log10WS | [-2.69; -2.69] |
|
|
| log10WS | -2.69 | Aq. Solubility Prediction | |
| log10WS | -2.69 | Estimated Solubility | |
| logPoct/wat | 1.553 | Crippen Calculated Property | |
| McVol | 128.790 | ml/mol | McGowan Calculated Property |
| Pc | 3995.65 | kPa | Joback Calculated Property |
| Tboil | 561.13 | K | Relay (1.0) Calculated Property |
| Tc | 844.34 | K | Relay (1.0) Calculated Property |
| Tfus | [488.82; 489.10] | K |
|
| Tfus | 488.82 | K | Aq. Solubility Prediction |
| Tfus | 489.10 ± 0.10 | K | NIST |
| Vc | 0.450 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [320.18; 371.48] | J/mol×K | [669.98; 918.65] |
|
| Cp,gas | 320.18 | J/mol×K | 669.98 | Joback Calculated Property |
| Cp,gas | 330.79 | J/mol×K | 711.43 | Joback Calculated Property |
| Cp,gas | 340.52 | J/mol×K | 752.87 | Joback Calculated Property |
| Cp,gas | 349.41 | J/mol×K | 794.32 | Joback Calculated Property |
| Cp,gas | 357.50 | J/mol×K | 835.76 | Joback Calculated Property |
| Cp,gas | 364.84 | J/mol×K | 877.21 | Joback Calculated Property |
| Cp,gas | 371.48 | J/mol×K | 918.65 | Joback Calculated Property |
| Cp,solid | 230.50 | J/mol×K | 323.00 | NIST |
Similar Compounds
Find more compounds similar to Acetamide, N-(4-nitrophenyl)-.
Sources
- Cheméo Relay (1.0)
- Crippen Method
- Joback Method
- Aqueous Solubility Prediction Method
- Estimated Solubility Method
- McGowan Method
- NIST Webbook
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