- InChI
- InChI=1S/C13H15NO4/c1-8(14(3)9(2)15)13(16)10-4-5-11-12(6-10)18-7-17-11/h4-6,8H,7H2,1-3H3
- InChI Key
- SFBOFEWMUYVYDF-UHFFFAOYSA-N
- Formula
- C13H15NO4
- SMILES
-
CC(=O)N(C)C(C)C(=O)c1ccc2c(c1)
OCO2 - Molecular Weight1
- 249.26
- Other Names
-
- N-acetylmethylone
- Methylone, Ac
- 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° | -101.55 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -431.83 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 38.41 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 72.52 | kJ/mol | Joback Calculated Property |
| log10WS | -2.47 | Crippen Calculated Property | |
| logPoct/wat | 1.465 | Crippen Calculated Property | |
| McVol | 184.270 | ml/mol | McGowan Calculated Property |
| Pc | 2805.41 | kPa | Joback Calculated Property |
| Inp | [1950.00; 1950.00] |
|
|
| Inp | 1950.00 | NIST | |
| Inp | 1950.00 | NIST | |
| Tboil | 718.53 | K | Joback Calculated Property |
| Tc | 942.77 | K | Joback Calculated Property |
| Tfus | 480.38 | K | Joback Calculated Property |
| Vc | 0.679 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [514.63; 581.13] | J/mol×K | [718.53; 942.77] |
|
| Cp,gas | 514.63 | J/mol×K | 718.53 | Joback Calculated Property |
| Cp,gas | 527.86 | J/mol×K | 755.90 | Joback Calculated Property |
| Cp,gas | 540.12 | J/mol×K | 793.28 | Joback Calculated Property |
| Cp,gas | 551.51 | J/mol×K | 830.65 | Joback Calculated Property |
| Cp,gas | 562.08 | J/mol×K | 868.03 | Joback Calculated Property |
| Cp,gas | 571.93 | J/mol×K | 905.40 | Joback Calculated Property |
| Cp,gas | 581.13 | J/mol×K | 942.77 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to N-acetyl-3,4-methylenedioxymethcathinone.
Sources
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