- InChI
- InChI=1S/C19H20ClNOS/c1-13(22)21(2)11-5-7-15-16-6-3-4-8-18(16)23-19-10-9-14(20)12-17(15)19/h3-4,6,8-10,12,15H,5,7,11H2,1-2H3
- InChI Key
- UPEOGWOZHZRBRK-UHFFFAOYSA-N
- Formula
- C19H20ClNOS
- SMILES
-
CC(=O)N(C)CCCC1c2ccccc2Sc2ccc(
Cl)cc21 - Molecular Weight1
- 345.89
- 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 | 0.6502 | Relay (1.0) Calculated Property | |
| ΔfG° | 387.67 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -99.40 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 44.59 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 122.58 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 7.98 | eV | Relay (1.0) Calculated Property |
| log10WS | -5.06 | Relay (1.0) Calculated Property | |
| logPoct/wat | 5.195 | Crippen Calculated Property | |
| McVol | 260.330 | ml/mol | McGowan Calculated Property |
| Pc | 1887.08 | kPa | Joback Calculated Property |
| Inp | [2930.00; 2930.00] |
|
|
| Inp | 2930.00 | NIST | |
| Inp | 2930.00 | NIST | |
| Tboil | 712.01 | K | Relay (1.0) Calculated Property |
| Tc | 979.27 | K | Relay (1.0) Calculated Property |
| Tfus | 387.41 | K | Relay (1.0) Calculated Property |
| Vc | 0.917 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [744.11; 821.53] | J/mol×K | [856.46; 1096.61] |
|
| Cp,gas | 744.11 | J/mol×K | 856.46 | Joback Calculated Property |
| Cp,gas | 758.82 | J/mol×K | 896.48 | Joback Calculated Property |
| Cp,gas | 772.62 | J/mol×K | 936.51 | Joback Calculated Property |
| Cp,gas | 785.66 | J/mol×K | 976.53 | Joback Calculated Property |
| Cp,gas | 798.06 | J/mol×K | 1016.56 | Joback Calculated Property |
| Cp,gas | 809.97 | J/mol×K | 1056.58 | Joback Calculated Property |
| Cp,gas | 821.53 | J/mol×K | 1096.61 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Chlorprothixene M (nor-dihydro-), monoacetylated.
Sources
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