- InChI
- InChI=1S/C8H7ClN2O3/c9-5-8(12)10-6-2-1-3-7(4-6)11(13)14/h1-4H,5H2,(H,10,12)
- InChI Key
- UCBHRCPNMDOUMV-UHFFFAOYSA-N
- Formula
- C8H7ClN2O3
- SMILES
-
O=C(CCl)Nc1cccc([N+](=O)[O-])c
1 - Molecular Weight1
- 214.61
- 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 | 0.6696 | Relay (1.0) Calculated Property | |
| ΔfG° | 103.35 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -176.46 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 32.38 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 85.33 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.17 | eV | Relay (1.0) Calculated Property |
| log10WS | -2.92 | Relay (1.0) Calculated Property | |
| logPoct/wat | 1.772 | Crippen Calculated Property | |
| McVol | 141.030 | ml/mol | McGowan Calculated Property |
| Pc | 3815.10 | kPa | Joback Calculated Property |
| Inp | 1870.00 | NIST | |
| Tboil | 585.36 | K | Relay (1.0) Calculated Property |
| Tc | 899.62 | K | Relay (1.0) Calculated Property |
| Tfus | 386.74 | K | Relay (1.0) Calculated Property |
| Vc | 0.478 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [340.47; 385.80] | J/mol×K | [707.41; 958.39] | 
|
| Cp,gas | 340.47 | J/mol×K | 707.41 | Joback Calculated Property |
| Cp,gas | 350.01 | J/mol×K | 749.24 | Joback Calculated Property |
| Cp,gas | 358.68 | J/mol×K | 791.07 | Joback Calculated Property |
| Cp,gas | 366.55 | J/mol×K | 832.90 | Joback Calculated Property |
| Cp,gas | 373.66 | J/mol×K | 874.73 | Joback Calculated Property |
| Cp,gas | 380.06 | J/mol×K | 916.56 | Joback Calculated Property |
| Cp,gas | 385.80 | J/mol×K | 958.39 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Acetamide, N-(3-nitrophenyl)-2-chloro-.
Sources
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