- InChI
- InChI=1S/C14H9ClF3NO/c15-11-5-2-6-12(8-11)19-13(20)9-3-1-4-10(7-9)14(16,17)18/h1-8H,(H,19,20)
- InChI Key
- CGDSIFCHWCLKDE-UHFFFAOYSA-N
- Formula
- C14H9ClF3NO
- SMILES
-
O=C(Nc1cccc(Cl)c1)c1cccc(C(F)(
F)F)c1 - Molecular Weight1
- 299.68
- 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° | -360.49 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -554.10 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 32.04 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 66.45 | kJ/mol | Joback Calculated Property |
| log10WS | -5.24 | Crippen Calculated Property | |
| logPoct/wat | 4.611 | Crippen Calculated Property | |
| McVol | 189.700 | ml/mol | McGowan Calculated Property |
| Pc | 2482.59 | kPa | Joback Calculated Property |
| Inp | [2080.00; 2080.00] |
|
|
| Inp | 2080.00 | NIST | |
| Inp | 2080.00 | NIST | |
| Tboil | 719.09 | K | Joback Calculated Property |
| Tc | 948.18 | K | Joback Calculated Property |
| Tfus | 462.12 | K | Joback Calculated Property |
| Vc | 0.737 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [489.70; 546.25] | J/mol×K | [719.09; 948.18] |
|
| Cp,gas | 489.70 | J/mol×K | 719.09 | Joback Calculated Property |
| Cp,gas | 501.44 | J/mol×K | 757.27 | Joback Calculated Property |
| Cp,gas | 512.14 | J/mol×K | 795.45 | Joback Calculated Property |
| Cp,gas | 521.89 | J/mol×K | 833.64 | Joback Calculated Property |
| Cp,gas | 530.76 | J/mol×K | 871.82 | Joback Calculated Property |
| Cp,gas | 538.86 | J/mol×K | 910.00 | Joback Calculated Property |
| Cp,gas | 546.25 | J/mol×K | 948.18 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Benzamide, N-(3-chlorophenyl)-3-trifluoromethyl-.
Sources
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