- InChI
- InChI=1S/C9H7ClF3NO/c1-5-2-3-6(10)4-7(5)14-8(15)9(11,12)13/h2-4H,1H3,(H,14,15)
- InChI Key
- IASIUFGKIUHRAG-UHFFFAOYSA-N
- Formula
- C9H7ClF3NO
- SMILES
- Cc1ccc(Cl)cc1NC(=O)C(F)(F)F
- Molecular Weight1
- 237.61
- 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° | -515.00 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -687.43 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 25.05 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 53.05 | kJ/mol | Joback Calculated Property |
| log10WS | -3.50 | Crippen Calculated Property | |
| logPoct/wat | 3.149 | Crippen Calculated Property | |
| McVol | 143.010 | ml/mol | McGowan Calculated Property |
| Pc | 2896.73 | kPa | Joback Calculated Property |
| Inp | [1354.00; 1354.00] |
|
|
| Inp | 1354.00 | NIST | |
| Inp | 1354.00 | NIST | |
| Tboil | 578.01 | K | Joback Calculated Property |
| Tc | 784.51 | K | Joback Calculated Property |
| Tfus | 379.35 | K | Joback Calculated Property |
| Vc | 0.565 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [330.31; 382.46] | J/mol×K | [578.01; 784.51] |
|
| Cp,gas | 330.31 | J/mol×K | 578.01 | Joback Calculated Property |
| Cp,gas | 340.76 | J/mol×K | 612.43 | Joback Calculated Property |
| Cp,gas | 350.45 | J/mol×K | 646.84 | Joback Calculated Property |
| Cp,gas | 359.43 | J/mol×K | 681.26 | Joback Calculated Property |
| Cp,gas | 367.73 | J/mol×K | 715.68 | Joback Calculated Property |
| Cp,gas | 375.39 | J/mol×K | 750.10 | Joback Calculated Property |
| Cp,gas | 382.46 | J/mol×K | 784.51 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to N-(5-Chloro-2-methylphenyl)-2,2,2-trifluoroacetamide.
Sources
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