- InChI
- InChI=1S/C19H19NOS/c1-14(21)20-12-6-10-17-16-8-3-2-7-15(16)13-22-19-11-5-4-9-18(17)19/h2-5,7-11H,6,12-13H2,1H3,(H,20,21)/b17-10-
- InChI Key
- PFUSITCDPXGKEZ-YVLHZVERSA-N
- Formula
- C19H19NOS
- SMILES
-
CC(=O)NCCC=C1c2ccccc2CSc2ccccc
21 - Molecular Weight1
- 309.43
- ω : Acentric Factor.
- 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).
- IE : Ionization energy (eV).
- 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 |
|---|---|---|---|
| ω | 0.6477 | Relay (... Calculated Property | |
| ΔfG° | 428.91 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | 16.77 | kJ/mol | Relay (... Calculated Property |
| ΔfusH° | 40.01 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 124.13 | kJ/mol | Relay (... Calculated Property |
| IE | 7.92 | eV | Relay (... Calculated Property |
| log10WS | -4.56 | Relay (... Calculated Property | |
| logPoct/wat | 4.250 | Crippen Calculated Property | |
| McVol | 243.790 | ml/mol | McGowan Calculated Property |
| Pc | 2167.36 | kPa | Joback Calculated Property |
| Inp | 2800.00 | NIST | |
| Tboil | 717.61 | K | Relay (... Calculated Property |
| Tc | 1002.96 | K | Relay (... Calculated Property |
| Tfus | 412.32 | K | Relay (... Calculated Property |
| Vc | 0.835 | m3/kmol | Relay (... Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [704.59; 780.89] | J/mol×K | [867.36; 1117.26] | 
|
| Cp,gas | 704.59 | J/mol×K | 867.36 | Joback Calculated Property |
| Cp,gas | 719.08 | J/mol×K | 909.01 | Joback Calculated Property |
| Cp,gas | 732.65 | J/mol×K | 950.66 | Joback Calculated Property |
| Cp,gas | 745.47 | J/mol×K | 992.31 | Joback Calculated Property |
| Cp,gas | 757.68 | J/mol×K | 1033.96 | Joback Calculated Property |
| Cp,gas | 769.43 | J/mol×K | 1075.61 | Joback Calculated Property |
| Cp,gas | 780.89 | J/mol×K | 1117.26 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Dosulepin-M (bis-nor-) AC.
Sources
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