- InChI
- InChI=1S/C16H11F4NO2/c1-2-21(15(22)11-7-9(17)3-5-13(11)19)16(23)12-8-10(18)4-6-14(12)20/h3-8H,2H2,1H3
- InChI Key
- NZRDNRMOARZGCP-UHFFFAOYSA-N
- Formula
- C16H11F4NO2
- SMILES
-
CCN(C(=O)c1cc(F)ccc1F)C(=O)c1c
c(F)ccc1F - Molecular Weight1
- 325.26
- 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 | 0.7197 | Relay (1.0) Calculated Property | |
| ΔfG° | -656.16 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -855.87 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 42.26 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 90.38 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.91 | eV | Relay (1.0) Calculated Property |
| log10WS | -5.21 | Relay (1.0) Calculated Property | |
| logPoct/wat | 3.545 | Crippen Calculated Property | |
| McVol | 208.980 | ml/mol | McGowan Calculated Property |
| Pc | 2051.17 | kPa | Joback Calculated Property |
| Inp | [1856.00; 1856.00] |
|
|
| Inp | 1856.00 | NIST | |
| Inp | 1856.00 | NIST | |
| Tboil | 617.36 | K | Relay (1.0) Calculated Property |
| Tc | 870.20 | K | Relay (1.0) Calculated Property |
| Tfus | 351.58 | K | Relay (1.0) Calculated Property |
| Vc | 0.774 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [573.65; 632.18] | J/mol×K | [756.02; 962.58] |
|
| Cp,gas | 573.65 | J/mol×K | 756.02 | Joback Calculated Property |
| Cp,gas | 585.47 | J/mol×K | 790.45 | Joback Calculated Property |
| Cp,gas | 596.41 | J/mol×K | 824.87 | Joback Calculated Property |
| Cp,gas | 606.51 | J/mol×K | 859.30 | Joback Calculated Property |
| Cp,gas | 615.81 | J/mol×K | 893.73 | Joback Calculated Property |
| Cp,gas | 624.35 | J/mol×K | 928.16 | Joback Calculated Property |
| Cp,gas | 632.18 | J/mol×K | 962.58 | Joback Calculated Property |
Similar Compounds
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Sources
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