- InChI
- InChI=1S/C6H10F3N/c7-6(8,9)5-1-3-10-4-2-5/h5,10H,1-4H2
- InChI Key
- RDRQUUWCJTYHCT-UHFFFAOYSA-N
- Formula
- C6H10F3N
- SMILES
- FC(F)(F)C1CCNCC1
- Molecular Weight1
- 153.15
- CAS
- 657-36-3
- PAff : Proton affinity (kJ/mol).
- BasG : Gas basicity (kJ/mol).
- 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).
- 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 |
|---|---|---|---|
| PAff | 925.10 | kJ/mol | NIST |
| BasG | 892.00 | kJ/mol | NIST |
| ΔfG° | -469.79 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -672.12 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 14.55 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 32.39 | kJ/mol | Joback Calculated Property |
| log10WS | -1.84 | Crippen Calculated Property | |
| logPoct/wat | 1.548 | Crippen Calculated Property | |
| McVol | 99.830 | ml/mol | McGowan Calculated Property |
| Pc | 3543.08 | kPa | Joback Calculated Property |
| Tboil | 399.36 | K | Joback Calculated Property |
| Tc | 592.13 | K | Joback Calculated Property |
| Tfus | 273.98 | K | Joback Calculated Property |
| Vc | 0.385 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [200.73; 277.47] | J/mol×K | [399.36; 592.13] | 
|
| Cp,gas | 200.73 | J/mol×K | 399.36 | Joback Calculated Property |
| Cp,gas | 215.40 | J/mol×K | 431.49 | Joback Calculated Property |
| Cp,gas | 229.29 | J/mol×K | 463.62 | Joback Calculated Property |
| Cp,gas | 242.42 | J/mol×K | 495.74 | Joback Calculated Property |
| Cp,gas | 254.80 | J/mol×K | 527.87 | Joback Calculated Property |
| Cp,gas | 266.48 | J/mol×K | 560.00 | Joback Calculated Property |
| Cp,gas | 277.47 | J/mol×K | 592.13 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 4-Trifluoromethylpiperidine.
Sources
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