- InChI
- InChI=1S/C9H8Cl3NO/c1-6-3-2-4-7(5-6)13-8(14)9(10,11)12/h2-5H,1H3,(H,13,14)
- InChI Key
- WJTMDWHORSRZQN-UHFFFAOYSA-N
- Formula
- C9H8Cl3NO
- SMILES
- Cc1cccc(NC(=O)C(Cl)(Cl)Cl)c1
- Molecular Weight1
- 252.53
- CAS
- 2563-96-4
- Other Names
-
- Acetamide, N-(3-methylphenyl)-2,2,2-trichloro-
- ω : Acentric Factor.
- 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).
- 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 |
|---|---|---|---|
| ω | 0.4581 | Relay (1.0) Calculated Property | |
| ΔfG° | 55.20 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -173.82 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 24.59 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 71.89 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.62 | eV | Relay (1.0) Calculated Property |
| log10WS | -3.73 | Relay (1.0) Calculated Property | |
| logPoct/wat | 3.304 | Crippen Calculated Property | |
| McVol | 162.180 | ml/mol | McGowan Calculated Property |
| Pc | 3149.09 | kPa | Joback Calculated Property |
| Inp | [1699.00; 1699.00] |
|
|
| Inp | 1699.00 | NIST | |
| Inp | 1699.00 | NIST | |
| Tboil | 577.66 | K | Relay (1.0) Calculated Property |
| Tc | 839.78 | K | Relay (1.0) Calculated Property |
| Tfus | 326.82 | K | Relay (1.0) Calculated Property |
| Vc | 0.561 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [351.43; 400.41] | J/mol×K | [650.08; 895.40] |
|
| Cp,gas | 351.43 | J/mol×K | 650.08 | Joback Calculated Property |
| Cp,gas | 361.71 | J/mol×K | 690.97 | Joback Calculated Property |
| Cp,gas | 371.03 | J/mol×K | 731.85 | Joback Calculated Property |
| Cp,gas | 379.48 | J/mol×K | 772.74 | Joback Calculated Property |
| Cp,gas | 387.14 | J/mol×K | 813.62 | Joback Calculated Property |
| Cp,gas | 394.09 | J/mol×K | 854.51 | Joback Calculated Property |
| Cp,gas | 400.41 | J/mol×K | 895.40 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Acetamide, 2,2,2-trichloro-N-(3-methylphenyl)-.
Sources
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