- InChI
- InChI=1S/C13H9ClN2O3/c14-12-7-2-1-6-11(12)13(17)15-9-4-3-5-10(8-9)16(18)19/h1-8H,(H,15,17)
- InChI Key
- XJCZQYCXLFPBAM-UHFFFAOYSA-N
- Formula
- C13H9ClN2O3
- SMILES
-
O=C(Nc1cccc([N+](=O)[O-])c1)c1
ccccc1Cl - Molecular Weight1
- 276.68
- 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 | 0.7227 | Relay (1.0) Calculated Property | |
| ΔfG° | 248.23 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -34.35 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 38.99 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 110.09 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.68 | eV | Relay (1.0) Calculated Property |
| log10WS | -4.69 | Relay (1.0) Calculated Property | |
| logPoct/wat | 3.500 | Crippen Calculated Property | |
| McVol | 187.720 | ml/mol | McGowan Calculated Property |
| Pc | 3145.56 | kPa | Joback Calculated Property |
| Inp | [2500.00; 2500.00] |
|
|
| Inp | 2500.00 | NIST | |
| Inp | 2500.00 | NIST | |
| Tboil | 635.11 | K | Relay (1.0) Calculated Property |
| Tc | 1005.25 | K | Relay (1.0) Calculated Property |
| Tfus | 418.08 | K | Relay (1.0) Calculated Property |
| Vc | 0.650 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [498.61; 544.05] | J/mol×K | [853.47; 1122.75] |
|
| Cp,gas | 498.61 | J/mol×K | 853.47 | Joback Calculated Property |
| Cp,gas | 508.57 | J/mol×K | 898.35 | Joback Calculated Property |
| Cp,gas | 517.46 | J/mol×K | 943.23 | Joback Calculated Property |
| Cp,gas | 525.35 | J/mol×K | 988.11 | Joback Calculated Property |
| Cp,gas | 532.35 | J/mol×K | 1032.99 | Joback Calculated Property |
| Cp,gas | 538.56 | J/mol×K | 1077.87 | Joback Calculated Property |
| Cp,gas | 544.05 | J/mol×K | 1122.75 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Benzamide, N-(3-nitrophenyl)-2-chloro-.
Sources
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