- InChI
- InChI=1S/C15H21NO4/c1-9-6-14(20-13(5)18)7-10(2)15(9)19-8-11(3)16-12(4)17/h6-7,11H,8H2,1-5H3,(H,16,17)
- InChI Key
- XPSPCVHEVQZZIQ-UHFFFAOYSA-N
- Formula
- C15H21NO4
- SMILES
-
CC(=O)NC(C)COc1c(C)cc(OC(C)=O)
cc1C - Molecular Weight1
- 279.33
- 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° | -221.95 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -592.22 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 34.63 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 77.61 | kJ/mol | Joback Calculated Property |
| log10WS | -3.61 | Crippen Calculated Property | |
| logPoct/wat | 2.132 | Crippen Calculated Property | |
| McVol | 223.310 | ml/mol | McGowan Calculated Property |
| Pc | 1959.60 | kPa | Joback Calculated Property |
| Inp | [2420.00; 2420.00] |
|
|
| Inp | 2420.00 | NIST | |
| Inp | 2420.00 | NIST | |
| Tboil | 786.53 | K | Joback Calculated Property |
| Tc | 995.72 | K | Joback Calculated Property |
| Tfus | 504.77 | K | Joback Calculated Property |
| Vc | 0.845 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [647.27; 716.96] | J/mol×K | [786.53; 995.72] |
|
| Cp,gas | 647.27 | J/mol×K | 786.53 | Joback Calculated Property |
| Cp,gas | 661.40 | J/mol×K | 821.40 | Joback Calculated Property |
| Cp,gas | 674.52 | J/mol×K | 856.26 | Joback Calculated Property |
| Cp,gas | 686.64 | J/mol×K | 891.13 | Joback Calculated Property |
| Cp,gas | 697.75 | J/mol×K | 925.99 | Joback Calculated Property |
| Cp,gas | 707.86 | J/mol×K | 960.86 | Joback Calculated Property |
| Cp,gas | 716.96 | J/mol×K | 995.72 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to MEXILETINE, M(HO-) ISOMER 3, AC.
Sources
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