- InChI
- InChI=1S/C15H11ClN2O4/c1-9(19)17-14-7-6-10(18(21)22)8-12(14)15(20)11-4-2-3-5-13(11)16/h2-8H,1H3,(H,17,19)
- InChI Key
- KKAWPHZVPHAUPY-UHFFFAOYSA-N
- Formula
- C15H11ClN2O4
- SMILES
-
CC(=O)Nc1ccc([N+](=O)[O-])cc1C
(=O)c1ccccc1Cl - Molecular Weight1
- 318.71
- 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° | 126.52 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -112.47 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 45.38 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 96.43 | kJ/mol | Joback Calculated Property |
| log10WS | -4.97 | Crippen Calculated Property | |
| logPoct/wat | 3.438 | Crippen Calculated Property | |
| McVol | 217.470 | ml/mol | McGowan Calculated Property |
| Pc | 2693.00 | kPa | Joback Calculated Property |
| Inp | [2845.00; 2845.00] |
|
|
| Inp | 2845.00 | NIST | |
| Inp | 2845.00 | NIST | |
| Tboil | 958.08 | K | Joback Calculated Property |
| Tc | 1221.30 | K | Joback Calculated Property |
| Tfus | 675.26 | K | Joback Calculated Property |
| Vc | 0.838 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [608.15; 646.31] | J/mol×K | [958.08; 1221.30] |
|
| Cp,gas | 608.15 | J/mol×K | 958.08 | Joback Calculated Property |
| Cp,gas | 616.81 | J/mol×K | 1001.95 | Joback Calculated Property |
| Cp,gas | 624.44 | J/mol×K | 1045.82 | Joback Calculated Property |
| Cp,gas | 631.12 | J/mol×K | 1089.69 | Joback Calculated Property |
| Cp,gas | 636.94 | J/mol×K | 1133.56 | Joback Calculated Property |
| Cp,gas | 641.97 | J/mol×K | 1177.43 | Joback Calculated Property |
| Cp,gas | 646.31 | J/mol×K | 1221.30 | Joback Calculated Property |
Similar Compounds
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Sources
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