- InChI
- InChI=1S/C13H19NO2/c1-9-6-5-7-10(2)13(9)16-8-11(3)14-12(4)15/h5-7,11H,8H2,1-4H3,(H,14,15)
- InChI Key
- DNSFMKGQWLZMOJ-UHFFFAOYSA-N
- Formula
- C13H19NO2
- SMILES
- CC(=O)NC(C)COc1c(C)cccc1C
- Molecular Weight1
- 221.30
- Other Names
-
- MEXILETINE, 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° | 4.76 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -294.67 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 27.05 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 63.34 | kJ/mol | Joback Calculated Property |
| log10WS | -3.29 | Crippen Calculated Property | |
| logPoct/wat | 2.207 | Crippen Calculated Property | |
| McVol | 187.690 | ml/mol | McGowan Calculated Property |
| Pc | 2271.90 | kPa | Joback Calculated Property |
| Inp | [1780.00; 1780.00] |
|
|
| Inp | 1780.00 | NIST | |
| Inp | 1780.00 | NIST | |
| Tboil | 659.50 | K | Joback Calculated Property |
| Tc | 868.12 | K | Joback Calculated Property |
| Tfus | 397.55 | K | Joback Calculated Property |
| Vc | 0.709 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [496.39; 575.50] | J/mol×K | [659.50; 868.12] |
|
| Cp,gas | 496.39 | J/mol×K | 659.50 | Joback Calculated Property |
| Cp,gas | 511.74 | J/mol×K | 694.27 | Joback Calculated Property |
| Cp,gas | 526.20 | J/mol×K | 729.04 | Joback Calculated Property |
| Cp,gas | 539.79 | J/mol×K | 763.81 | Joback Calculated Property |
| Cp,gas | 552.52 | J/mol×K | 798.58 | Joback Calculated Property |
| Cp,gas | 564.42 | J/mol×K | 833.35 | Joback Calculated Property |
| Cp,gas | 575.50 | J/mol×K | 868.12 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Mexiletine acetate.
Sources
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