- InChI
- InChI=1S/C9H10ClNO/c1-11(2)9(12)7-4-3-5-8(10)6-7/h3-6H,1-2H3
- InChI Key
- JSXDHOISXRKLGG-UHFFFAOYSA-N
- Formula
- C9H10ClNO
- SMILES
- CN(C)C(=O)c1cccc(Cl)c1
- Molecular Weight1
- 183.63
- CAS
- 24167-52-0
- PAff : Proton affinity (kJ/mol).
- BasG : Gas basicity (kJ/mol).
- 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 |
|---|---|---|---|
| PAff | 927.90 | kJ/mol | NIST |
| BasG | 896.90 | kJ/mol | NIST |
| ΔfG° | 97.61 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -64.82 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 21.54 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 51.74 | kJ/mol | Joback Calculated Property |
| log10WS | -2.30 | Crippen Calculated Property | |
| logPoct/wat | 2.042 | Crippen Calculated Property | |
| McVol | 137.700 | ml/mol | McGowan Calculated Property |
| Pc | 3295.37 | kPa | Joback Calculated Property |
| Tboil | 540.72 | K | Joback Calculated Property |
| Tc | 762.06 | K | Joback Calculated Property |
| Tfus | 342.45 | K | Joback Calculated Property |
| Vc | 0.504 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [291.78; 355.11] | J/mol×K | [540.72; 762.06] | 
|
| Cp,gas | 291.78 | J/mol×K | 540.72 | Joback Calculated Property |
| Cp,gas | 304.33 | J/mol×K | 577.61 | Joback Calculated Property |
| Cp,gas | 316.02 | J/mol×K | 614.50 | Joback Calculated Property |
| Cp,gas | 326.91 | J/mol×K | 651.39 | Joback Calculated Property |
| Cp,gas | 337.03 | J/mol×K | 688.28 | Joback Calculated Property |
| Cp,gas | 346.41 | J/mol×K | 725.17 | Joback Calculated Property |
| Cp,gas | 355.11 | J/mol×K | 762.06 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 3-Cl-C6H4CON(CH3)2.
Sources
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