- InChI
- InChI=1S/C9H10ClNO/c1-2-9(12)11-8-6-4-3-5-7(8)10/h3-6H,2H2,1H3,(H,11,12)
- InChI Key
- VCVUMBWLSGNGFA-UHFFFAOYSA-N
- Formula
- C9H10ClNO
- SMILES
- CCC(=O)Nc1ccccc1Cl
- Molecular Weight1
- 183.63
- CAS
- 2760-32-9
- Other Names
-
- Propanamide,N-(2-chlorophenyl)-
- 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).
- 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° | 76.22 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -78.88 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 23.61 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 56.13 | kJ/mol | Joback Calculated Property |
| IE | 8.45 ± 0.05 | eV | NIST |
| log10WS | -2.78 | Crippen Calculated Property | |
| logPoct/wat | 2.688 | Crippen Calculated Property | |
| McVol | 137.700 | ml/mol | McGowan Calculated Property |
| Pc | 3352.86 | kPa | Joback Calculated Property |
| Tboil | 578.45 | K | Joback Calculated Property |
| Tc | 802.68 | K | Joback Calculated Property |
| Tfus | 362.64 | K | Joback Calculated Property |
| Vc | 0.521 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [302.69; 362.44] | J/mol×K | [578.45; 802.68] | 
|
| Cp,gas | 302.69 | J/mol×K | 578.45 | Joback Calculated Property |
| Cp,gas | 314.51 | J/mol×K | 615.82 | Joback Calculated Property |
| Cp,gas | 325.54 | J/mol×K | 653.19 | Joback Calculated Property |
| Cp,gas | 335.82 | J/mol×K | 690.57 | Joback Calculated Property |
| Cp,gas | 345.37 | J/mol×K | 727.94 | Joback Calculated Property |
| Cp,gas | 354.23 | J/mol×K | 765.31 | Joback Calculated Property |
| Cp,gas | 362.44 | J/mol×K | 802.68 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 2-Chloropropionanilide.
Sources
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