- InChI
- InChI=1S/C14H10F3NO2/c1-20-9-4-2-8(3-5-9)18-14(19)10-6-7-11(15)13(17)12(10)16/h2-7H,1H3,(H,18,19)
- InChI Key
- LYZBCVKPJODAFH-UHFFFAOYSA-N
- Formula
- C14H10F3NO2
- SMILES
-
COc1ccc(NC(=O)c2ccc(F)c(F)c2F)
cc1 - Molecular Weight1
- 281.23
- 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 | 0.7064 | Relay (1.0) Calculated Property | |
| ΔfG° | -475.66 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -644.57 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 35.67 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 91.15 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 7.91 | eV | Relay (1.0) Calculated Property |
| log10WS | -4.98 | Relay (1.0) Calculated Property | |
| logPoct/wat | 3.365 | Crippen Calculated Property | |
| McVol | 183.330 | ml/mol | McGowan Calculated Property |
| Pc | 2412.37 | kPa | Joback Calculated Property |
| Inp | [2046.00; 2046.00] |
|
|
| Inp | 2046.00 | NIST | |
| Inp | 2046.00 | NIST | |
| Tboil | 622.27 | K | Relay (1.0) Calculated Property |
| Tc | 883.90 | K | Relay (1.0) Calculated Property |
| Tfus | 408.40 | K | Relay (1.0) Calculated Property |
| Vc | 0.661 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [485.53; 545.00] | J/mol×K | [717.27; 931.23] |
|
| Cp,gas | 485.53 | J/mol×K | 717.27 | Joback Calculated Property |
| Cp,gas | 497.55 | J/mol×K | 752.93 | Joback Calculated Property |
| Cp,gas | 508.70 | J/mol×K | 788.59 | Joback Calculated Property |
| Cp,gas | 519.00 | J/mol×K | 824.25 | Joback Calculated Property |
| Cp,gas | 528.47 | J/mol×K | 859.91 | Joback Calculated Property |
| Cp,gas | 537.13 | J/mol×K | 895.57 | Joback Calculated Property |
| Cp,gas | 545.00 | J/mol×K | 931.23 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Benzamide, N-(4-methoxyphenyl)-2,3,4-trifluoro-.
Sources
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