- InChI
- InChI=1S/C10H12ClNO/c1-8-3-2-4-9(7-8)12-10(13)5-6-11/h2-4,7H,5-6H2,1H3,(H,12,13)
- InChI Key
- XZPLSUAKDONHQY-UHFFFAOYSA-N
- Formula
- C10H12ClNO
- SMILES
- Cc1cccc(NC(=O)CCCl)c1
- Molecular Weight1
- 197.66
- 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° | 84.64 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -99.52 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 26.20 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 58.36 | kJ/mol | Joback Calculated Property |
| log10WS | -2.72 | Crippen Calculated Property | |
| logPoct/wat | 2.562 | Crippen Calculated Property | |
| McVol | 151.790 | ml/mol | McGowan Calculated Property |
| Pc | 3009.03 | kPa | Joback Calculated Property |
| Inp | 1749.00 | NIST | |
| Tboil | 601.33 | K | Joback Calculated Property |
| Tc | 821.48 | K | Joback Calculated Property |
| Tfus | 373.91 | K | Joback Calculated Property |
| Vc | 0.578 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [349.15; 413.35] | J/mol×K | [601.33; 821.48] | 
|
| Cp,gas | 349.15 | J/mol×K | 601.33 | Joback Calculated Property |
| Cp,gas | 361.80 | J/mol×K | 638.02 | Joback Calculated Property |
| Cp,gas | 373.63 | J/mol×K | 674.71 | Joback Calculated Property |
| Cp,gas | 384.66 | J/mol×K | 711.40 | Joback Calculated Property |
| Cp,gas | 394.93 | J/mol×K | 748.10 | Joback Calculated Property |
| Cp,gas | 404.48 | J/mol×K | 784.79 | Joback Calculated Property |
| Cp,gas | 413.35 | J/mol×K | 821.48 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Propanamide, N-(3-methylphenyl)-3-chloro-.
Sources
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