- InChI
- InChI=1S/C8H6Cl2N2O3/c9-7(10)8(13)11-5-2-1-3-6(4-5)12(14)15/h1-4,7H,(H,11,13)
- InChI Key
- MJSNGWQBPBCMJV-UHFFFAOYSA-N
- Formula
- C8H6Cl2N2O3
- SMILES
-
O=C(Nc1cccc([N+](=O)[O-])c1)C(
Cl)Cl - Molecular Weight1
- 249.05
- 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).
- 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 |
|---|---|---|---|
| ΔfG° | 88.98 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -90.02 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 33.06 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 74.50 | kJ/mol | Joback Calculated Property |
| log10WS | -3.24 | Crippen Calculated Property | |
| logPoct/wat | 2.337 | Crippen Calculated Property | |
| McVol | 153.270 | ml/mol | McGowan Calculated Property |
| Pc | 3682.02 | kPa | Joback Calculated Property |
| Inp | [1946.00; 1946.00] |
|
|
| Inp | 1946.00 | NIST | |
| Inp | 1946.00 | NIST | |
| Tboil | 744.40 | K | Joback Calculated Property |
| Tc | 1002.49 | K | Joback Calculated Property |
| Tfus | 509.90 | K | Joback Calculated Property |
| Vc | 0.591 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [360.04; 399.98] | J/mol×K | [744.40; 1002.49] |
|
| Cp,gas | 360.04 | J/mol×K | 744.40 | Joback Calculated Property |
| Cp,gas | 368.69 | J/mol×K | 787.42 | Joback Calculated Property |
| Cp,gas | 376.46 | J/mol×K | 830.43 | Joback Calculated Property |
| Cp,gas | 383.41 | J/mol×K | 873.45 | Joback Calculated Property |
| Cp,gas | 389.61 | J/mol×K | 916.46 | Joback Calculated Property |
| Cp,gas | 395.11 | J/mol×K | 959.48 | Joback Calculated Property |
| Cp,gas | 399.98 | J/mol×K | 1002.49 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Acetamide, N-(3-nitrophenyl)-2,2-dichloro-.
Sources
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