- InChI
- InChI=1S/C20H22ClNO2S/c1-13(23)24-15-7-9-20-18(12-15)16(5-4-10-22(2)3)17-11-14(21)6-8-19(17)25-20/h6-9,11-12,16H,4-5,10H2,1-3H3
- InChI Key
- KIOLPMMETRQELR-UHFFFAOYSA-N
- Formula
- C20H22ClNO2S
- SMILES
-
CC(=O)Oc1ccc2c(c1)C(CCCN(C)C)c
1cc(Cl)ccc1S2 - Molecular Weight1
- 375.91
- 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° | 281.46 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -97.74 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 47.98 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 88.45 | kJ/mol | Joback Calculated Property |
| log10WS | -5.86 | Crippen Calculated Property | |
| logPoct/wat | 5.204 | Crippen Calculated Property | |
| McVol | 280.290 | ml/mol | McGowan Calculated Property |
| Pc | 1693.51 | kPa | Joback Calculated Property |
| Inp | [2800.00; 2800.00] |
|
|
| Inp | 2800.00 | NIST | |
| Inp | 2800.00 | NIST | |
| Tboil | 906.74 | K | Joback Calculated Property |
| Tc | 1142.51 | K | Joback Calculated Property |
| Tfus | 657.54 | K | Joback Calculated Property |
| Vc | 1.042 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [827.34; 902.08] | J/mol×K | [906.74; 1142.51] |
|
| Cp,gas | 827.34 | J/mol×K | 906.74 | Joback Calculated Property |
| Cp,gas | 841.74 | J/mol×K | 946.03 | Joback Calculated Property |
| Cp,gas | 855.22 | J/mol×K | 985.33 | Joback Calculated Property |
| Cp,gas | 867.89 | J/mol×K | 1024.62 | Joback Calculated Property |
| Cp,gas | 879.85 | J/mol×K | 1063.92 | Joback Calculated Property |
| Cp,gas | 891.21 | J/mol×K | 1103.21 | Joback Calculated Property |
| Cp,gas | 902.08 | J/mol×K | 1142.51 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Chlorprothixene M (HO-dihydro-), monoacetylated.
Sources
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