- InChI
- InChI=1S/C15H21NO2/c1-3-16-15(9-5-7-13(17)11-15)12-6-4-8-14(10-12)18-2/h4,6,8,10,16H,3,5,7,9,11H2,1-2H3
- InChI Key
- JUWIQHNNBJANEB-UHFFFAOYSA-N
- Formula
- C15H21NO2
- SMILES
- CCNC1(c2cccc(OC)c2)CCCC(=O)C1
- Molecular Weight1
- 247.33
- CAS
- 1239943-76-0
- 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° | 58.96 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -274.76 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 19.59 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 64.29 | kJ/mol | Joback Calculated Property |
| log10WS | -3.44 | Crippen Calculated Property | |
| logPoct/wat | 2.643 | Crippen Calculated Property | |
| McVol | 205.010 | ml/mol | McGowan Calculated Property |
| Pc | 2354.20 | kPa | Joback Calculated Property |
| Inp | [1929.50; 1929.50] |
|
|
| Inp | 1929.50 | NIST | |
| Inp | 1929.50 | NIST | |
| Tboil | 734.46 | K | Joback Calculated Property |
| Tc | 977.03 | K | Joback Calculated Property |
| Tfus | 472.14 | K | Joback Calculated Property |
| Vc | 0.758 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [604.90; 709.84] | J/mol×K | [734.46; 977.03] |
|
| Cp,gas | 604.90 | J/mol×K | 734.46 | Joback Calculated Property |
| Cp,gas | 624.62 | J/mol×K | 774.89 | Joback Calculated Property |
| Cp,gas | 643.27 | J/mol×K | 815.32 | Joback Calculated Property |
| Cp,gas | 661.00 | J/mol×K | 855.74 | Joback Calculated Property |
| Cp,gas | 677.92 | J/mol×K | 896.17 | Joback Calculated Property |
| Cp,gas | 694.15 | J/mol×K | 936.60 | Joback Calculated Property |
| Cp,gas | 709.84 | J/mol×K | 977.03 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Methoxetamine.
Sources
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