- InChI
- InChI=1S/C12H15N/c1-3-9-13-11(2)10-12-7-5-4-6-8-12/h1,4-8,11,13H,9-10H2,2H3
- InChI Key
- UUFAJPMQSFXDFR-UHFFFAOYSA-N
- Formula
- C12H15N
- SMILES
- C#CCNC(C)Cc1ccccc1
- Molecular Weight1
- 173.25
- CAS
- 18913-84-3
- Other Names
-
- (.+/-.)-N-Desmethylselegiline
- 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° | 472.59 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | 285.61 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 25.43 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 50.49 | kJ/mol | Joback Calculated Property |
| log10WS | -3.04 | Crippen Calculated Property | |
| logPoct/wat | 1.840 | Crippen Calculated Property | |
| McVol | 157.560 | ml/mol | McGowan Calculated Property |
| Pc | 2859.68 | kPa | Joback Calculated Property |
| Inp | 1362.80 | NIST | |
| Tboil | 540.49 | K | Joback Calculated Property |
| Tc | 759.78 | K | Joback Calculated Property |
| Tfus | 336.05 | K | Joback Calculated Property |
| Vc | 0.591 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [360.64; 441.79] | J/mol×K | [540.49; 759.78] | 
|
| Cp,gas | 360.64 | J/mol×K | 540.49 | Joback Calculated Property |
| Cp,gas | 376.57 | J/mol×K | 577.04 | Joback Calculated Property |
| Cp,gas | 391.46 | J/mol×K | 613.59 | Joback Calculated Property |
| Cp,gas | 405.38 | J/mol×K | 650.14 | Joback Calculated Property |
| Cp,gas | 418.37 | J/mol×K | 686.68 | Joback Calculated Property |
| Cp,gas | 430.49 | J/mol×K | 723.23 | Joback Calculated Property |
| Cp,gas | 441.79 | J/mol×K | 759.78 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Desmethyldeprenyl.
Sources
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