- InChI
- InChI=1S/C11H15NO2/c1-8(12-2)11(13)9-5-4-6-10(7-9)14-3/h4-8,12H,1-3H3
- InChI Key
- VAVRRUJYUFACKA-UHFFFAOYSA-N
- Formula
- C11H15NO2
- SMILES
- CNC(C)C(=O)c1cccc(OC)c1
- Molecular Weight1
- 193.24
- CAS
- 882302-56-9
- 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).
- 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 |
|---|---|---|---|
| ω | 0.5620 | Relay (1.0) Calculated Property | |
| ΔfG° | -2.45 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -219.91 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 22.26 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 77.05 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.06 | eV | Relay (1.0) Calculated Property |
| log10WS | -1.07 | Relay (1.0) Calculated Property | |
| logPoct/wat | 1.486 | Crippen Calculated Property | |
| McVol | 159.510 | ml/mol | McGowan Calculated Property |
| Pc | 2796.51 | kPa | Joback Calculated Property |
| Inp | [1588.80; 1588.80] |
|
|
| Inp | 1588.80 | NIST | |
| Inp | 1588.80 | NIST | |
| Tboil | 554.56 | K | Relay (1.0) Calculated Property |
| Tc | 762.96 | K | Relay (1.0) Calculated Property |
| Tfus | 367.02 | K | Relay (1.0) Calculated Property |
| Vc | 0.566 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [396.17; 470.03] | J/mol×K | [608.76; 823.24] |
|
| Cp,gas | 396.17 | J/mol×K | 608.76 | Joback Calculated Property |
| Cp,gas | 410.54 | J/mol×K | 644.51 | Joback Calculated Property |
| Cp,gas | 424.06 | J/mol×K | 680.25 | Joback Calculated Property |
| Cp,gas | 436.76 | J/mol×K | 716.00 | Joback Calculated Property |
| Cp,gas | 448.64 | J/mol×K | 751.75 | Joback Calculated Property |
| Cp,gas | 459.72 | J/mol×K | 787.50 | Joback Calculated Property |
| Cp,gas | 470.03 | J/mol×K | 823.24 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 3-Methoxymethcathinone.
Sources
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