- InChI
- InChI=1S/C17H15ClN2O3/c1-10(21)19-12-7-8-16(20-11(2)22)14(9-12)17(23)13-5-3-4-6-15(13)18/h3-9H,1-2H3,(H,19,21)(H,20,22)
- InChI Key
- BOCLGTUHWYBPNT-UHFFFAOYSA-N
- Formula
- C17H15ClN2O3
- SMILES
-
CC(=O)Nc1ccc(NC(C)=O)c(C(=O)c2
ccccc2Cl)c1 - Molecular Weight1
- 330.77
- 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 | 0.8392 | Relay (1.0) Calculated Property | |
| ΔfG° | 68.28 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -398.36 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 45.89 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 119.12 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.04 | eV | Relay (1.0) Calculated Property |
| log10WS | -4.10 | Relay (1.0) Calculated Property | |
| logPoct/wat | 3.488 | Crippen Calculated Property | |
| McVol | 239.780 | ml/mol | McGowan Calculated Property |
| Pc | 2367.97 | kPa | Joback Calculated Property |
| Inp | [2845.00; 2845.00] |
|
|
| Inp | 2845.00 | NIST | |
| Inp | 2845.00 | NIST | |
| Tboil | 668.08 | K | Relay (1.0) Calculated Property |
| Tc | 1046.74 | K | Relay (1.0) Calculated Property |
| Tfus | 431.35 | K | Relay (1.0) Calculated Property |
| Vc | 0.838 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [688.97; 732.36] | J/mol×K | [956.04; 1200.04] |
|
| Cp,gas | 688.97 | J/mol×K | 956.04 | Joback Calculated Property |
| Cp,gas | 698.58 | J/mol×K | 996.71 | Joback Calculated Property |
| Cp,gas | 707.14 | J/mol×K | 1037.37 | Joback Calculated Property |
| Cp,gas | 714.73 | J/mol×K | 1078.04 | Joback Calculated Property |
| Cp,gas | 721.42 | J/mol×K | 1118.71 | Joback Calculated Property |
| Cp,gas | 727.28 | J/mol×K | 1159.38 | Joback Calculated Property |
| Cp,gas | 732.36 | J/mol×K | 1200.04 | Joback Calculated Property |
Similar Compounds
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Sources
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