- InChI
- InChI=1S/C13H14F3NO/c14-13(15,16)10-6-3-7-11(8-10)17-12(18)9-4-1-2-5-9/h3,6-9H,1-2,4-5H2,(H,17,18)
- InChI Key
- PPEXRKPFMAVBPF-UHFFFAOYSA-N
- Formula
- C13H14F3NO
- SMILES
-
O=C(Nc1cccc(C(F)(F)F)c1)C1CCCC
1 - Molecular Weight1
- 257.25
- CAS
- 13691-84-4
- 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).
- 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 | 0.5658 | Relay (... Calculated Property | |
| ΔfG° | -423.21 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -803.69 | kJ/mol | Relay (... Calculated Property |
| ΔfusH° | 25.54 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 71.96 | kJ/mol | Relay (... Calculated Property |
| IE | 8.99 | eV | Relay (... Calculated Property |
| log10WS | -3.94 | Relay (... Calculated Property | |
| logPoct/wat | 3.834 | Crippen Calculated Property | |
| McVol | 176.270 | ml/mol | McGowan Calculated Property |
| Pc | 2475.19 | kPa | Joback Calculated Property |
| Tboil | 572.81 | K | Relay (... Calculated Property |
| Tc | 827.45 | K | Relay (... Calculated Property |
| Tfus | 371.76 | K | Relay (... Calculated Property |
| Vc | 0.632 | m3/kmol | Relay (... Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [486.17; 565.53] | J/mol×K | [642.40; 858.28] | 
|
| Cp,gas | 486.17 | J/mol×K | 642.40 | Joback Calculated Property |
| Cp,gas | 502.18 | J/mol×K | 678.38 | Joback Calculated Property |
| Cp,gas | 516.97 | J/mol×K | 714.36 | Joback Calculated Property |
| Cp,gas | 530.62 | J/mol×K | 750.34 | Joback Calculated Property |
| Cp,gas | 543.22 | J/mol×K | 786.32 | Joback Calculated Property |
| Cp,gas | 554.83 | J/mol×K | 822.30 | Joback Calculated Property |
| Cp,gas | 565.53 | J/mol×K | 858.28 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 3'-Trifluoromethylcyclopentanecarboxanilide.
Sources
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