- InChI
- InChI=1S/C14H9F4NO2/c1-21-13-11(17)9(6-10(16)12(13)18)14(20)19-8-4-2-7(15)3-5-8/h2-6H,1H3,(H,19,20)
- InChI Key
- ROMCVTXEZNFZIV-UHFFFAOYSA-N
- Formula
- C14H9F4NO2
- SMILES
-
COc1c(F)c(F)cc(C(=O)Nc2ccc(F)c
c2)c1F - Molecular Weight1
- 299.22
- 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 | 0.7101 | Relay (1.0) Calculated Property | |
| ΔfG° | -680.10 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -766.11 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 38.36 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 91.05 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.16 | eV | Relay (1.0) Calculated Property |
| log10WS | -4.95 | Relay (1.0) Calculated Property | |
| logPoct/wat | 3.504 | Crippen Calculated Property | |
| McVol | 185.100 | ml/mol | McGowan Calculated Property |
| Pc | 2276.24 | kPa | Joback Calculated Property |
| Inp | 2072.00 | NIST | |
| Tboil | 610.32 | K | Relay (1.0) Calculated Property |
| Tc | 883.94 | K | Relay (1.0) Calculated Property |
| Tfus | 416.34 | K | Relay (1.0) Calculated Property |
| Vc | 0.676 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [492.10; 548.67] | J/mol×K | [721.52; 928.16] | 
|
| Cp,gas | 492.10 | J/mol×K | 721.52 | Joback Calculated Property |
| Cp,gas | 503.47 | J/mol×K | 755.96 | Joback Calculated Property |
| Cp,gas | 514.04 | J/mol×K | 790.40 | Joback Calculated Property |
| Cp,gas | 523.83 | J/mol×K | 824.84 | Joback Calculated Property |
| Cp,gas | 532.86 | J/mol×K | 859.28 | Joback Calculated Property |
| Cp,gas | 541.14 | J/mol×K | 893.72 | Joback Calculated Property |
| Cp,gas | 548.67 | J/mol×K | 928.16 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 2,4,5-Trifluoro-3-methoxybenzamide, N-(4-fluorophenyl)-.
Sources
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