- InChI
- InChI=1S/C12H17NO/c1-4-13-10(3)12(14)11-7-5-9(2)6-8-11/h5-8,10,13H,4H2,1-3H3
- InChI Key
- ZOXZWYWOECCBSH-UHFFFAOYSA-N
- Formula
- C12H17NO
- SMILES
- CCNC(C)C(=O)c1ccc(C)cc1
- Molecular Weight1
- 191.27
- CAS
- 1225617-18-4
- 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° | 110.97 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -130.34 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 23.66 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 58.04 | kJ/mol | Joback Calculated Property |
| log10WS | -3.16 | Crippen Calculated Property | |
| logPoct/wat | 2.176 | Crippen Calculated Property | |
| McVol | 167.730 | ml/mol | McGowan Calculated Property |
| Pc | 2576.72 | kPa | Joback Calculated Property |
| Inp | 1535.10 | NIST | |
| Tboil | 609.22 | K | Joback Calculated Property |
| Tc | 822.57 | K | Joback Calculated Property |
| Tfus | 351.53 | K | Joback Calculated Property |
| Vc | 0.634 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [420.02; 498.77] | J/mol×K | [609.22; 822.57] | 
|
| Cp,gas | 420.02 | J/mol×K | 609.22 | Joback Calculated Property |
| Cp,gas | 435.36 | J/mol×K | 644.78 | Joback Calculated Property |
| Cp,gas | 449.76 | J/mol×K | 680.34 | Joback Calculated Property |
| Cp,gas | 463.27 | J/mol×K | 715.89 | Joback Calculated Property |
| Cp,gas | 475.92 | J/mol×K | 751.45 | Joback Calculated Property |
| Cp,gas | 487.74 | J/mol×K | 787.01 | Joback Calculated Property |
| Cp,gas | 498.77 | J/mol×K | 822.57 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 4-Methylethcathinone.
Sources
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