- InChI
- InChI=1S/C12H14ClNO3/c1-3-17-12(16)8(2)14-11(15)9-6-4-5-7-10(9)13/h4-8H,3H2,1-2H3,(H,14,15)
- InChI Key
- FIGHCVBYPAFJIP-UHFFFAOYSA-N
- Formula
- C12H14ClNO3
- SMILES
- CCOC(=O)C(C)NC(=O)c1ccccc1Cl
- Molecular Weight1
- 255.70
- 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° | -134.88 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -390.88 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 30.65 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 71.58 | kJ/mol | Joback Calculated Property |
| log10WS | -3.15 | Crippen Calculated Property | |
| logPoct/wat | 2.021 | Crippen Calculated Property | |
| McVol | 187.410 | ml/mol | McGowan Calculated Property |
| Pc | 2600.43 | kPa | Joback Calculated Property |
| Inp | 1937.00 | NIST | |
| Tboil | 722.94 | K | Joback Calculated Property |
| Tc | 943.45 | K | Joback Calculated Property |
| Tfus | 453.61 | K | Joback Calculated Property |
| Vc | 0.708 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [486.97; 548.21] | J/mol×K | [722.94; 943.45] | 
|
| Cp,gas | 486.97 | J/mol×K | 722.94 | Joback Calculated Property |
| Cp,gas | 499.38 | J/mol×K | 759.69 | Joback Calculated Property |
| Cp,gas | 510.88 | J/mol×K | 796.44 | Joback Calculated Property |
| Cp,gas | 521.49 | J/mol×K | 833.20 | Joback Calculated Property |
| Cp,gas | 531.24 | J/mol×K | 869.95 | Joback Calculated Property |
| Cp,gas | 540.13 | J/mol×K | 906.70 | Joback Calculated Property |
| Cp,gas | 548.21 | J/mol×K | 943.45 | Joback Calculated Property |
Similar Compounds
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Sources
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