- InChI
- InChI=1S/C8H5Cl3FNO/c9-8(10,11)7(14)13-6-4-2-1-3-5(6)12/h1-4H,(H,13,14)
- InChI Key
- CICMDDPELVRHCE-UHFFFAOYSA-N
- Formula
- C8H5Cl3FNO
- SMILES
- O=C(Nc1ccccc1F)C(Cl)(Cl)Cl
- Molecular Weight1
- 256.49
- 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 | 0.4275 | Relay (1.0) Calculated Property | |
| ΔfG° | -148.03 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -305.73 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 25.08 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 70.56 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.95 | eV | Relay (1.0) Calculated Property |
| log10WS | -3.54 | Relay (1.0) Calculated Property | |
| logPoct/wat | 3.134 | Crippen Calculated Property | |
| McVol | 149.860 | ml/mol | McGowan Calculated Property |
| Pc | 3337.38 | kPa | Joback Calculated Property |
| Inp | [1532.00; 1532.00] |
|
|
| Inp | 1532.00 | NIST | |
| Inp | 1532.00 | NIST | |
| Tboil | 549.37 | K | Relay (1.0) Calculated Property |
| Tc | 812.40 | K | Relay (1.0) Calculated Property |
| Tfus | 336.46 | K | Relay (1.0) Calculated Property |
| Vc | 0.515 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [313.27; 355.14] | J/mol×K | [626.47; 865.04] |
|
| Cp,gas | 313.27 | J/mol×K | 626.47 | Joback Calculated Property |
| Cp,gas | 322.17 | J/mol×K | 666.23 | Joback Calculated Property |
| Cp,gas | 330.21 | J/mol×K | 705.99 | Joback Calculated Property |
| Cp,gas | 337.45 | J/mol×K | 745.76 | Joback Calculated Property |
| Cp,gas | 343.98 | J/mol×K | 785.52 | Joback Calculated Property |
| Cp,gas | 349.85 | J/mol×K | 825.28 | Joback Calculated Property |
| Cp,gas | 355.14 | J/mol×K | 865.04 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Trichloroacetamide, N-(2-fluorophenyl)-.
Sources
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