- InChI
- InChI=1S/C12H16N2/c1-11(14-9-5-8-13)10-12-6-3-2-4-7-12/h2-4,6-7,11,14H,5,9-10H2,1H3
- InChI Key
- IQUFSXIQAFPIMR-UHFFFAOYSA-N
- Formula
- C12H16N2
- SMILES
- CC(Cc1ccccc1)NCCC#N
- Molecular Weight1
- 188.27
- CAS
- 15686-61-0
- Other Names
-
- Propanenitrile, 3-[(1-methyl-2-phenylethyl)amino]-, (.+/-.)-
- Propionitrile, 3-((«alpha»-methylphenethyl)amino)-, (.+/-.)-
- (.+/-.)-3-[(«alpha»-Methylphenethyl)amino]propionitrile
- N-(2-Cyanoethyl)amphetamine
- (.+/-.)-N-2-Cyanoethylamphetamine
- 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 | 0.5671 | Relay (1.0) Calculated Property | |
| ΔfG° | 382.70 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | 141.07 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 23.96 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 80.71 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.09 | eV | Relay (1.0) Calculated Property |
| log10WS | -0.69 | Relay (1.0) Calculated Property | |
| logPoct/wat | 2.121 | Crippen Calculated Property | |
| McVol | 167.540 | ml/mol | McGowan Calculated Property |
| Pc | 2395.87 | kPa | Joback Calculated Property |
| Tboil | 585.61 | K | Relay (1.0) Calculated Property |
| Tc | 803.47 | K | Relay (1.0) Calculated Property |
| Tfus | 305.75 | K | Relay (1.0) Calculated Property |
| Vc | 0.588 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [432.78; 504.17] | J/mol×K | [652.45; 871.40] | 
|
| Cp,gas | 432.78 | J/mol×K | 652.45 | Joback Calculated Property |
| Cp,gas | 446.85 | J/mol×K | 688.94 | Joback Calculated Property |
| Cp,gas | 459.98 | J/mol×K | 725.43 | Joback Calculated Property |
| Cp,gas | 472.23 | J/mol×K | 761.93 | Joback Calculated Property |
| Cp,gas | 483.65 | J/mol×K | 798.42 | Joback Calculated Property |
| Cp,gas | 494.28 | J/mol×K | 834.91 | Joback Calculated Property |
| Cp,gas | 504.17 | J/mol×K | 871.40 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Fenproporex.
Sources
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