- InChI
- InChI=1S/C20H27NO4/c1-14(22)21(3)13-18(16-8-6-5-7-9-16)17-10-11-19(24-4)20(12-17)25-15(2)23/h8,10-12,18H,5-7,9,13H2,1-4H3
- InChI Key
- MFRJZPPOFJDWSW-UHFFFAOYSA-N
- Formula
- C20H27NO4
- SMILES
-
COc1ccc(C(CN(C)C(C)=O)C2=CCCCC
2)cc1OC(C)=O - Molecular Weight1
- 345.43
- 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° | -96.34 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -548.92 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 37.49 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 85.37 | kJ/mol | Joback Calculated Property |
| log10WS | -4.53 | Crippen Calculated Property | |
| logPoct/wat | 3.683 | Crippen Calculated Property | |
| McVol | 278.600 | ml/mol | McGowan Calculated Property |
| Pc | 1625.91 | kPa | Joback Calculated Property |
| Inp | [2560.00; 2560.00] |
|
|
| Inp | 2560.00 | NIST | |
| Inp | 2560.00 | NIST | |
| Tboil | 886.58 | K | Joback Calculated Property |
| Tc | 1109.93 | K | Joback Calculated Property |
| Tfus | 553.31 | K | Joback Calculated Property |
| Vc | 1.028 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [880.98; 954.14] | J/mol×K | [886.58; 1109.93] |
|
| Cp,gas | 880.98 | J/mol×K | 886.58 | Joback Calculated Property |
| Cp,gas | 896.63 | J/mol×K | 923.81 | Joback Calculated Property |
| Cp,gas | 910.84 | J/mol×K | 961.03 | Joback Calculated Property |
| Cp,gas | 923.65 | J/mol×K | 998.26 | Joback Calculated Property |
| Cp,gas | 935.12 | J/mol×K | 1035.48 | Joback Calculated Property |
| Cp,gas | 945.26 | J/mol×K | 1072.71 | Joback Calculated Property |
| Cp,gas | 954.14 | J/mol×K | 1109.93 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Venlafaxine-M (nor-HO-)-H2O AC.
Sources
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