- InChI
- InChI=1S/C10H13NO/c1-8(11-2)10(12)9-6-4-3-5-7-9/h3-8,11H,1-2H3
- InChI Key
- LPLLVINFLBSFRP-UHFFFAOYSA-N
- Formula
- C10H13NO
- SMILES
- CNC(C)C(=O)c1ccccc1
- Molecular Weight1
- 163.22
- Other Names
-
- 1-Propanone, 2-(methylamino)-1-phenyl-
- 2-(methylamino)propiophenone
- 2-Methylamino-1-phenylpropanone
- Cat
- Ephedrone
- «alpha»-Methylaminopropiophenone
- 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 | 0.4573 | Relay (1.0) Calculated Property | |
| ΔfG° | 103.76 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -64.89 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 18.87 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 69.87 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.48 | eV | Relay (1.0) Calculated Property |
| log10WS | -0.72 | Relay (1.0) Calculated Property | |
| logPoct/wat | 1.477 | Crippen Calculated Property | |
| McVol | 139.550 | ml/mol | McGowan Calculated Property |
| Pc | 3217.33 | kPa | Joback Calculated Property |
| Tboil | 517.35 | K | Relay (1.0) Calculated Property |
| Tc | 740.76 | K | Relay (1.0) Calculated Property |
| Tfus | 364.04 | K | Relay (1.0) Calculated Property |
| Vc | 0.498 | m3/kmol | Relay (1.0) Calculated Property |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [177.16; 443.16] | J/mol×K | [273.00; 1000.00] |
Joback Predicted correlation
|
| Equation | Y = A + B·T + C·T² + D·T³ + E·T⁴ Y is Cp,gas in J/mol×K, T in K | |||
| Coefficient A | -3.56400e+01 | |||
| Coefficient B | 9.29040e-01 | |||
| Coefficient C | -5.84500e-04 | |||
| Coefficient D | 1.34260e-07 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 177.16 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 225.82 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 268.72 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 306.27 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 338.91 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 367.05 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 391.12 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 411.55 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 428.75 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 443.16 | J/mol×K | 1000.00 | Calculated Property |
Similar Compounds
Find more compounds similar to METHCATHINONE.
Sources
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