- InChI
- InChI=1S/C16H13F4NO3/c1-23-10-4-6-14(24-2)13(8-10)21-15(22)11-7-9(17)3-5-12(11)16(18,19)20/h3-8H,1-2H3,(H,21,22)
- InChI Key
- NFLZGGYUUHKNPO-UHFFFAOYSA-N
- Formula
- C16H13F4NO3
- SMILES
-
COc1ccc(OC)c(NC(=O)c2cc(F)ccc2
C(F)(F)F)c1 - Molecular Weight1
- 343.27
- 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 | 0.7952 | Relay (... Calculated Property | |
| ΔfG° | -755.79 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -1127.28 | kJ/mol | Relay (... Calculated Property |
| ΔfusH° | 37.70 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 96.30 | kJ/mol | Relay (... Calculated Property |
| IE | 7.97 | eV | Relay (... Calculated Property |
| log10WS | -4.95 | Relay (... Calculated Property | |
| logPoct/wat | 4.114 | Crippen Calculated Property | |
| McVol | 219.150 | ml/mol | McGowan Calculated Property |
| Pc | 1938.95 | kPa | Joback Calculated Property |
| Inp | [2196.00; 2196.00] |
|
|
| Inp | 2196.00 | NIST | |
| Inp | 2196.00 | NIST | |
| Tboil | 640.96 | K | Relay (... Calculated Property |
| Tc | 898.17 | K | Relay (... Calculated Property |
| Tfus | 410.70 | K | Relay (... Calculated Property |
| Vc | 0.791 | m3/kmol | Relay (... Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [627.09; 686.32] | J/mol×K | [781.49; 990.63] |
|
| Cp,gas | 627.09 | J/mol×K | 781.49 | Joback Calculated Property |
| Cp,gas | 639.29 | J/mol×K | 816.35 | Joback Calculated Property |
| Cp,gas | 650.52 | J/mol×K | 851.20 | Joback Calculated Property |
| Cp,gas | 660.81 | J/mol×K | 886.06 | Joback Calculated Property |
| Cp,gas | 670.19 | J/mol×K | 920.91 | Joback Calculated Property |
| Cp,gas | 678.68 | J/mol×K | 955.77 | Joback Calculated Property |
| Cp,gas | 686.32 | J/mol×K | 990.63 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 3-Fluoro-6-trifluoromethylbenzamide, N-(2,5-dimethoxyphenyl)-.
Sources
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