- InChI
- InChI=1S/C18H15F4NO2/c1-2-3-8-23(17(24)11-4-6-13(19)15(21)9-11)18(25)12-5-7-14(20)16(22)10-12/h4-7,9-10H,2-3,8H2,1H3
- InChI Key
- FPFCKDFXNLDLIX-UHFFFAOYSA-N
- Formula
- C18H15F4NO2
- SMILES
-
CCCCN(C(=O)c1ccc(F)c(F)c1)C(=O
)c1ccc(F)c(F)c1 - 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 | 0.8157 | Relay (1.0) Calculated Property | |
| ΔfG° | -639.32 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -890.06 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 47.44 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 89.72 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.06 | eV | Relay (1.0) Calculated Property |
| log10WS | -5.99 | Relay (1.0) Calculated Property | |
| logPoct/wat | 4.326 | Crippen Calculated Property | |
| McVol | 237.160 | ml/mol | McGowan Calculated Property |
| Pc | 1736.11 | kPa | Joback Calculated Property |
| Inp | [1990.00; 1990.00] |
|
|
| Inp | 1990.00 | NIST | |
| Inp | 1990.00 | NIST | |
| Tboil | 635.63 | K | Relay (1.0) Calculated Property |
| Tc | 871.69 | K | Relay (1.0) Calculated Property |
| Tfus | 328.62 | K | Relay (1.0) Calculated Property |
| Vc | 0.869 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [682.01; 744.42] | J/mol×K | [801.78; 1005.53] |
|
| Cp,gas | 682.01 | J/mol×K | 801.78 | Joback Calculated Property |
| Cp,gas | 694.56 | J/mol×K | 835.74 | Joback Calculated Property |
| Cp,gas | 706.19 | J/mol×K | 869.70 | Joback Calculated Property |
| Cp,gas | 716.94 | J/mol×K | 903.65 | Joback Calculated Property |
| Cp,gas | 726.87 | J/mol×K | 937.61 | Joback Calculated Property |
| Cp,gas | 736.01 | J/mol×K | 971.57 | Joback Calculated Property |
| Cp,gas | 744.42 | J/mol×K | 1005.53 | Joback Calculated Property |
Similar Compounds
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Sources
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