- InChI
- InChI=1S/C20H21NOS/c1-15(22)21(2)13-7-11-18-17-9-4-3-8-16(17)14-23-20-12-6-5-10-19(18)20/h3-6,8-12H,7,13-14H2,1-2H3/b18-11-
- InChI Key
- FNBUQFXNKCKNGO-WQRHYEAKSA-N
- Formula
- C20H21NOS
- SMILES
-
CC(=O)N(C)CCC=C1c2ccccc2CSc2cc
ccc21 - Molecular Weight1
- 323.45
- 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° | 458.72 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | 163.37 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 40.52 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 81.60 | kJ/mol | Joback Calculated Property |
| log10WS | -5.55 | Crippen Calculated Property | |
| logPoct/wat | 4.592 | Crippen Calculated Property | |
| McVol | 257.880 | ml/mol | McGowan Calculated Property |
| Pc | 1959.60 | kPa | Joback Calculated Property |
| Inp | 2820.00 | NIST | |
| Tboil | 852.51 | K | Joback Calculated Property |
| Tc | 1097.29 | K | Joback Calculated Property |
| Tfus | 591.43 | K | Joback Calculated Property |
| Vc | 0.951 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [748.44; 830.34] | J/mol×K | [852.51; 1097.29] | 
|
| Cp,gas | 748.44 | J/mol×K | 852.51 | Joback Calculated Property |
| Cp,gas | 764.01 | J/mol×K | 893.31 | Joback Calculated Property |
| Cp,gas | 778.59 | J/mol×K | 934.10 | Joback Calculated Property |
| Cp,gas | 792.36 | J/mol×K | 974.90 | Joback Calculated Property |
| Cp,gas | 805.47 | J/mol×K | 1015.69 | Joback Calculated Property |
| Cp,gas | 818.07 | J/mol×K | 1056.49 | Joback Calculated Property |
| Cp,gas | 830.34 | J/mol×K | 1097.29 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Dosulepin-M (nor-) AC.
Sources
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