- InChI
- InChI=1S/C18H18ClNOS/c1-12(21)20-10-4-6-14-15-5-2-3-7-17(15)22-18-9-8-13(19)11-16(14)18/h2-3,5,7-9,11,14H,4,6,10H2,1H3,(H,20,21)
- InChI Key
- LUCNRCZEQCNVKL-UHFFFAOYSA-N
- Formula
- C18H18ClNOS
- SMILES
-
CC(=O)NCCCC1c2ccccc2Sc2ccc(Cl)
cc21 - Molecular Weight1
- 331.86
- 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° | 357.86 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | 73.17 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 44.08 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 85.32 | kJ/mol | Joback Calculated Property |
| log10WS | -5.94 | Crippen Calculated Property | |
| logPoct/wat | 4.853 | Crippen Calculated Property | |
| McVol | 246.240 | ml/mol | McGowan Calculated Property |
| Pc | 2083.12 | kPa | Joback Calculated Property |
| Inp | [3450.00; 3450.00] |
|
|
| Inp | 3450.00 | NIST | |
| Inp | 3450.00 | NIST | |
| Tboil | 871.31 | K | Joback Calculated Property |
| Tc | 1116.43 | K | Joback Calculated Property |
| Tfus | 620.44 | K | Joback Calculated Property |
| Vc | 0.928 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [699.94; 771.81] | J/mol×K | [871.31; 1116.43] |
|
| Cp,gas | 699.94 | J/mol×K | 871.31 | Joback Calculated Property |
| Cp,gas | 713.60 | J/mol×K | 912.16 | Joback Calculated Property |
| Cp,gas | 726.41 | J/mol×K | 953.02 | Joback Calculated Property |
| Cp,gas | 738.50 | J/mol×K | 993.87 | Joback Calculated Property |
| Cp,gas | 750.01 | J/mol×K | 1034.73 | Joback Calculated Property |
| Cp,gas | 761.07 | J/mol×K | 1075.58 | Joback Calculated Property |
| Cp,gas | 771.81 | J/mol×K | 1116.43 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Clopenthixol M (desalkyl-dihydro-), monoacetylated.
Sources
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