- InChI
- InChI=1S/C13H7F4NO/c14-7-1-3-8(4-2-7)18-13(19)9-5-6-10(15)12(17)11(9)16/h1-6H,(H,18,19)
- InChI Key
- VYIIAWWHTUDYBL-UHFFFAOYSA-N
- Formula
- C13H7F4NO
- SMILES
-
O=C(Nc1ccc(F)cc1)c1ccc(F)c(F)c
1F - Molecular Weight1
- 269.19
- 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 | 0.6401 | Relay (1.0) Calculated Property | |
| ΔfG° | -573.89 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -659.01 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 34.97 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 86.04 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.42 | eV | Relay (1.0) Calculated Property |
| log10WS | -4.98 | Relay (1.0) Calculated Property | |
| logPoct/wat | 3.495 | Crippen Calculated Property | |
| McVol | 165.140 | ml/mol | McGowan Calculated Property |
| Pc | 2581.96 | kPa | Joback Calculated Property |
| Inp | 1761.00 | NIST | |
| Tboil | 588.86 | K | Relay (1.0) Calculated Property |
| Tc | 860.88 | K | Relay (1.0) Calculated Property |
| Tfus | 402.39 | K | Relay (1.0) Calculated Property |
| Vc | 0.604 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [418.54; 474.20] | J/mol×K | [671.24; 881.70] | 
|
| Cp,gas | 418.54 | J/mol×K | 671.24 | Joback Calculated Property |
| Cp,gas | 429.70 | J/mol×K | 706.32 | Joback Calculated Property |
| Cp,gas | 440.06 | J/mol×K | 741.39 | Joback Calculated Property |
| Cp,gas | 449.66 | J/mol×K | 776.47 | Joback Calculated Property |
| Cp,gas | 458.53 | J/mol×K | 811.55 | Joback Calculated Property |
| Cp,gas | 466.70 | J/mol×K | 846.63 | Joback Calculated Property |
| Cp,gas | 474.20 | J/mol×K | 881.70 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Benzamide, N-(4-fluorophenyl)-2,3,4-trifluoro-.
Sources
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