- InChI
- InChI=1S/C11H15NO/c1-3-12-9(2)11(13)10-7-5-4-6-8-10/h4-9,12H,3H2,1-2H3
- InChI Key
- LYMHIBZGTAPASQ-UHFFFAOYSA-N
- Formula
- C11H15NO
- SMILES
- CCNC(C)C(=O)c1ccccc1
- Molecular Weight1
- 177.24
- CAS
- 18259-37-5
- 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° | 112.18 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -98.23 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 21.46 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 55.15 | kJ/mol | Joback Calculated Property |
| log10WS | -2.69 | Crippen Calculated Property | |
| logPoct/wat | 1.867 | Crippen Calculated Property | |
| McVol | 153.640 | ml/mol | McGowan Calculated Property |
| Pc | 2893.62 | kPa | Joback Calculated Property |
| Inp | [1417.50; 1417.50] |
|
|
| Inp | 1417.50 | NIST | |
| Inp | 1417.50 | NIST | |
| Tboil | 581.36 | K | Joback Calculated Property |
| Tc | 797.40 | K | Joback Calculated Property |
| Tfus | 327.74 | K | Joback Calculated Property |
| Vc | 0.579 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [371.57; 447.88] | J/mol×K | [581.36; 797.40] |
|
| Cp,gas | 371.57 | J/mol×K | 581.36 | Joback Calculated Property |
| Cp,gas | 386.54 | J/mol×K | 617.37 | Joback Calculated Property |
| Cp,gas | 400.55 | J/mol×K | 653.37 | Joback Calculated Property |
| Cp,gas | 413.65 | J/mol×K | 689.38 | Joback Calculated Property |
| Cp,gas | 425.88 | J/mol×K | 725.38 | Joback Calculated Property |
| Cp,gas | 437.28 | J/mol×K | 761.39 | Joback Calculated Property |
| Cp,gas | 447.88 | J/mol×K | 797.40 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to N-Ethylcathinone.
Sources
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