- InChI
- InChI=1S/C10H12ClNO2/c1-7(2)14-10(13)12-9-6-4-3-5-8(9)11/h3-7H,1-2H3,(H,12,13)
- InChI Key
- YLZUJFLALUCJQI-UHFFFAOYSA-N
- Formula
- C10H12ClNO2
- SMILES
- CC(C)OC(=O)Nc1ccccc1Cl
- Molecular Weight1
- 213.66
- CAS
- 2150-22-3
- 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).
- 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° | -22.80 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -237.02 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 23.87 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 60.38 | kJ/mol | Joback Calculated Property |
| log10WS | -3.37 | Crippen Calculated Property | |
| logPoct/wat | 3.297 | Crippen Calculated Property | |
| McVol | 157.660 | ml/mol | McGowan Calculated Property |
| Pc | 2979.54 | kPa | Joback Calculated Property |
| Tboil | 623.31 | K | Joback Calculated Property |
| Tc | 845.22 | K | Joback Calculated Property |
| Tfus | 381.14 | K | Joback Calculated Property |
| Vc | 0.590 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [373.44; 437.76] | J/mol×K | [623.31; 845.22] | 
|
| Cp,gas | 373.44 | J/mol×K | 623.31 | Joback Calculated Property |
| Cp,gas | 386.15 | J/mol×K | 660.30 | Joback Calculated Property |
| Cp,gas | 398.05 | J/mol×K | 697.28 | Joback Calculated Property |
| Cp,gas | 409.13 | J/mol×K | 734.27 | Joback Calculated Property |
| Cp,gas | 419.44 | J/mol×K | 771.25 | Joback Calculated Property |
| Cp,gas | 428.97 | J/mol×K | 808.24 | Joback Calculated Property |
| Cp,gas | 437.76 | J/mol×K | 845.22 | Joback Calculated Property |
Similar Compounds
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Sources
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