- InChI
- InChI=1S/C9H12FN/c1-7(11)5-8-3-2-4-9(10)6-8/h2-4,6-7H,5,11H2,1H3
- InChI Key
- PIOCLGPCMNPZFT-UHFFFAOYSA-N
- Formula
- C9H12FN
- SMILES
- CC(N)Cc1cccc(F)c1
- Molecular Weight1
- 153.20
- CAS
- 1716-59-2
- Other Names
-
- Amphetamine, 3'-fluoro
- 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.
- 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° | -3.12 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -171.63 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 17.47 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 48.00 | kJ/mol | Joback Calculated Property |
| log10WS | -2.57 | Crippen Calculated Property | |
| logPoct/wat | 1.715 | Crippen Calculated Property | |
| McVol | 125.660 | ml/mol | McGowan Calculated Property |
| Pc | 3280.28 | kPa | Joback Calculated Property |
| Inp | 1112.00 | NIST | |
| Tboil | 508.34 | K | Joback Calculated Property |
| Tc | 722.37 | K | Joback Calculated Property |
| Tfus | 298.98 | K | Joback Calculated Property |
| Vc | 0.472 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [280.09; 349.12] | J/mol×K | [508.34; 722.37] | 
|
| Cp,gas | 280.09 | J/mol×K | 508.34 | Joback Calculated Property |
| Cp,gas | 293.46 | J/mol×K | 544.01 | Joback Calculated Property |
| Cp,gas | 306.04 | J/mol×K | 579.68 | Joback Calculated Property |
| Cp,gas | 317.87 | J/mol×K | 615.36 | Joback Calculated Property |
| Cp,gas | 328.97 | J/mol×K | 651.03 | Joback Calculated Property |
| Cp,gas | 339.38 | J/mol×K | 686.70 | Joback Calculated Property |
| Cp,gas | 349.12 | J/mol×K | 722.37 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 3-Fluoroamphetamine.
Sources
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