- InChI
- InChI=1S/C18H15F4NO2/c1-10(2)9-23(17(24)13-5-3-11(19)7-15(13)21)18(25)14-6-4-12(20)8-16(14)22/h3-8,10H,9H2,1-2H3
- InChI Key
- PYLDFOKVVNRJRK-UHFFFAOYSA-N
- Formula
- C18H15F4NO2
- SMILES
-
CC(C)CN(C(=O)c1ccc(F)cc1F)C(=O
)c1ccc(F)cc1F - Molecular Weight1
- 353.31
- 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 | 0.7658 | Relay (1.0) Calculated Property | |
| ΔfG° | -641.76 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -913.25 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 43.92 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 89.81 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.04 | eV | Relay (1.0) Calculated Property |
| log10WS | -6.01 | Relay (1.0) Calculated Property | |
| logPoct/wat | 4.182 | Crippen Calculated Property | |
| McVol | 237.160 | ml/mol | McGowan Calculated Property |
| Pc | 1747.74 | kPa | Joback Calculated Property |
| Inp | [1965.00; 1965.00] |
|
|
| Inp | 1965.00 | NIST | |
| Inp | 1965.00 | NIST | |
| Tboil | 627.32 | K | Relay (1.0) Calculated Property |
| Tc | 870.01 | K | Relay (1.0) Calculated Property |
| Tfus | 364.04 | K | Relay (1.0) Calculated Property |
| Vc | 0.872 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [682.60; 745.44] | J/mol×K | [801.34; 1007.61] |
|
| Cp,gas | 682.60 | J/mol×K | 801.34 | Joback Calculated Property |
| Cp,gas | 695.29 | J/mol×K | 835.72 | Joback Calculated Property |
| Cp,gas | 707.04 | J/mol×K | 870.10 | Joback Calculated Property |
| Cp,gas | 717.88 | J/mol×K | 904.48 | Joback Calculated Property |
| Cp,gas | 727.86 | J/mol×K | 938.86 | Joback Calculated Property |
| Cp,gas | 737.03 | J/mol×K | 973.23 | Joback Calculated Property |
| Cp,gas | 745.44 | J/mol×K | 1007.61 | Joback Calculated Property |
Similar Compounds
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Sources
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