- InChI
- InChI=1S/C9H8Cl3NO/c10-6-9(11,12)8(14)13-7-4-2-1-3-5-7/h1-5H,6H2,(H,13,14)
- InChI Key
- HBRQIHMUJNDTOR-UHFFFAOYSA-N
- Formula
- C9H8Cl3NO
- SMILES
- O=C(Nc1ccccc1)C(Cl)(Cl)CCl
- Molecular Weight1
- 252.53
- CAS
- 16189-06-3
- 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° | 64.83 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -107.64 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 24.98 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 62.94 | kJ/mol | Joback Calculated Property |
| log10WS | -3.16 | Crippen Calculated Property | |
| logPoct/wat | 3.038 | Crippen Calculated Property | |
| McVol | 162.180 | ml/mol | McGowan Calculated Property |
| Pc | 3202.78 | kPa | Joback Calculated Property |
| Tboil | 645.10 | K | Joback Calculated Property |
| Tc | 889.50 | K | Joback Calculated Property |
| Tfus | 412.38 | K | Joback Calculated Property |
| Vc | 0.609 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [352.97; 402.62] | J/mol×K | [645.10; 889.50] | 
|
| Cp,gas | 352.97 | J/mol×K | 645.10 | Joback Calculated Property |
| Cp,gas | 363.46 | J/mol×K | 685.83 | Joback Calculated Property |
| Cp,gas | 372.95 | J/mol×K | 726.57 | Joback Calculated Property |
| Cp,gas | 381.52 | J/mol×K | 767.30 | Joback Calculated Property |
| Cp,gas | 389.26 | J/mol×K | 808.03 | Joback Calculated Property |
| Cp,gas | 396.27 | J/mol×K | 848.77 | Joback Calculated Property |
| Cp,gas | 402.62 | J/mol×K | 889.50 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 2,2,3-Trichloro-n-phenylpropanamide.
Sources
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