- InChI
- InChI=1S/C19H20FNO3/c20-15-3-1-13(2-4-15)17-7-8-21-10-14(17)11-22-16-5-6-18-19(9-16)24-12-23-18/h1-6,9,14,17,21H,7-8,10-12H2
- InChI Key
- AHOUBRCZNHFOSL-UHFFFAOYSA-N
- Formula
- C19H20FNO3
- SMILES
-
Fc1ccc(C2CCNCC2COc2ccc3c(c2)OC
O3)cc1 - Molecular Weight1
- 329.37
- CAS
- 61869-08-7
- Other Names
-
- Piperidine, 3-[(1,3-benzodioxol-5-yloxy)methyl]-4-(4-fluorophenyl)-, (3S-trans)-
- (-)-(3S,4R)-4-(p-Fluorophenyl)-3-[((3,4-methylenedioxy)phenoxy]methyl]piperidine
- Aropax
- BRL-29060
- FG-7051
- Paxil
- 3-[(1,3-Benzodioxol-5-yloxy)methyl]-4-(4-fluorophenyl)piperidine, (-)-(3S,4R)-
- Casbol
- Frosinor
- Motivan
- Paxetil
- PaxPar
- Piperidine, 3-((1,3-benzodioxol-5-yloxy)methyl)-4-(4-fluorophenyl)-, (3S,4R)-
- 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° | 5.89 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -424.24 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 51.67 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 82.14 | kJ/mol | Joback Calculated Property |
| log10WS | -4.65 | Crippen Calculated Property | |
| logPoct/wat | 3.326 | Crippen Calculated Property | |
| McVol | 238.690 | ml/mol | McGowan Calculated Property |
| Pc | 2173.43 | kPa | Joback Calculated Property |
| Inp | [2673.50; 2673.50] |
|
|
| Inp | 2673.50 | NIST | |
| Inp | 2673.50 | NIST | |
| Tboil | 852.85 | K | Joback Calculated Property |
| Tc | 1103.60 | K | Joback Calculated Property |
| Tfus | 600.60 | K | Joback Calculated Property |
| Vc | 0.888 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [761.16; 840.96] | J/mol×K | [852.85; 1103.60] |
|
| Cp,gas | 761.16 | J/mol×K | 852.85 | Joback Calculated Property |
| Cp,gas | 778.10 | J/mol×K | 894.64 | Joback Calculated Property |
| Cp,gas | 793.47 | J/mol×K | 936.43 | Joback Calculated Property |
| Cp,gas | 807.36 | J/mol×K | 978.22 | Joback Calculated Property |
| Cp,gas | 819.84 | J/mol×K | 1020.02 | Joback Calculated Property |
| Cp,gas | 831.01 | J/mol×K | 1061.81 | Joback Calculated Property |
| Cp,gas | 840.96 | J/mol×K | 1103.60 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Paroxetine.
Sources
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