- InChI
- InChI=1S/C15H20N2O/c1-12(11-14-7-4-3-5-8-14)15(9-6-10-16)17-13(2)18/h3-5,7-8,12,15H,6,9,11H2,1-2H3,(H,17,18)
- InChI Key
- WBWRBTLPESKPLP-UHFFFAOYSA-N
- Formula
- C15H20N2O
- SMILES
- CC(=O)NC(CCC#N)C(C)Cc1ccccc1
- Molecular Weight1
- 244.33
- 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° | 276.60 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -21.19 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 29.81 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 74.14 | kJ/mol | Joback Calculated Property |
| log10WS | -3.91 | Crippen Calculated Property | |
| logPoct/wat | 2.674 | Crippen Calculated Property | |
| McVol | 211.380 | ml/mol | McGowan Calculated Property |
| Pc | 1957.87 | kPa | Joback Calculated Property |
| Inp | 1915.00 | NIST | |
| Tboil | 774.52 | K | Joback Calculated Property |
| Tc | 993.24 | K | Joback Calculated Property |
| Tfus | 422.81 | K | Joback Calculated Property |
| Vc | 0.823 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [606.40; 676.44] | J/mol×K | [774.52; 993.24] | 
|
| Cp,gas | 606.40 | J/mol×K | 774.52 | Joback Calculated Property |
| Cp,gas | 620.38 | J/mol×K | 810.97 | Joback Calculated Property |
| Cp,gas | 633.36 | J/mol×K | 847.43 | Joback Calculated Property |
| Cp,gas | 645.41 | J/mol×K | 883.88 | Joback Calculated Property |
| Cp,gas | 656.56 | J/mol×K | 920.34 | Joback Calculated Property |
| Cp,gas | 666.89 | J/mol×K | 956.79 | Joback Calculated Property |
| Cp,gas | 676.44 | J/mol×K | 993.24 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Fenproporex, AC.
Sources
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