- InChI
- InChI=1S/C12H16F3N/c1-3-16-9(2)7-10-5-4-6-11(8-10)12(13,14)15/h4-6,8-9,16H,3,7H2,1-2H3
- InChI Key
- DBGIVFWFUFKIQN-UHFFFAOYSA-N
- Formula
- C12H16F3N
- SMILES
- CCNC(C)Cc1cccc(C(F)(F)F)c1
- Molecular Weight1
- 231.26
- CAS
- 458-24-2
- Other Names
-
- Benzeneethanamine, N-ethyl-«alpha»-methyl-3-(trifluoromethyl)-
- Phenethylamine, N-ethyl-«alpha»-methyl-m-(trifluoromethyl)-
- N-Ethyl-«alpha»-methyl-3-trifluoromethylphenethylamine
- 3-(Trifluoromethyl)-N-ethyl-«alpha»-methylphenethylamine
- 1-(meta-Trifluoromethyl-phenyl)-2 ethylaminopropane
- Acino
- Obedrex
- Pesos
- Ponderax PA
- Rotondin
- DL-Fenfluramine
- 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).
- Inp : Non-polar retention indices.
- I : 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 |
|---|---|---|---|
| ΔfG° | -341.70 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -614.84 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 23.89 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 47.55 | kJ/mol | Joback Calculated Property |
| log10WS | -3.93 | Crippen Calculated Property | |
| logPoct/wat | 3.246 | Crippen Calculated Property | |
| McVol | 171.470 | ml/mol | McGowan Calculated Property |
| Pc | 2165.35 | kPa | Joback Calculated Property |
| Inp | [1173.00; 1240.60] |
|
|
| Inp | 1240.00 | NIST | |
| Inp | 1226.00 | NIST | |
| Inp | 1183.00 | NIST | |
| Inp | 1183.00 | NIST | |
| Inp | 1220.00 | NIST | |
| Inp | 1240.60 | NIST | |
| Inp | 1220.00 | NIST | |
| Inp | 1220.00 | NIST | |
| Inp | 1220.00 | NIST | |
| Inp | 1173.00 | NIST | |
| Inp | 1177.00 | NIST | |
| Inp | 1185.00 | NIST | |
| Inp | 1220.00 | NIST | |
| Inp | 1220.00 | NIST | |
| Inp | 1222.00 | NIST | |
| Inp | 1220.00 | NIST | |
| Inp | 1240.60 | NIST | |
| I | [1531.00; 1569.00] |
|
|
| I | 1531.00 | NIST | |
| I | 1532.00 | NIST | |
| I | 1555.00 | NIST | |
| I | 1562.00 | NIST | |
| I | 1569.00 | NIST | |
| Tboil | 549.93 | K | Joback Calculated Property |
| Tc | 738.82 | K | Joback Calculated Property |
| Tfus | 305.79 | K | Joback Calculated Property |
| Vc | 0.671 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [426.52; 506.31] | J/mol×K | [549.93; 738.82] |
|
| Cp,gas | 426.52 | J/mol×K | 549.93 | Joback Calculated Property |
| Cp,gas | 441.97 | J/mol×K | 581.41 | Joback Calculated Property |
| Cp,gas | 456.50 | J/mol×K | 612.89 | Joback Calculated Property |
| Cp,gas | 470.15 | J/mol×K | 644.37 | Joback Calculated Property |
| Cp,gas | 482.98 | J/mol×K | 675.86 | Joback Calculated Property |
| Cp,gas | 495.02 | J/mol×K | 707.34 | Joback Calculated Property |
| Cp,gas | 506.31 | J/mol×K | 738.82 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Fenfluramine.
Sources
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