- InChI
- InChI=1S/C18H16ClNOS/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/h2-3,5-9,11H,4,10H2,1H3,(H,20,21)/b14-6+
- InChI Key
- IDQBOOJPVLAYIE-MKMNVTDBSA-N
- Formula
- C18H16ClNOS
- SMILES
-
CC(=O)NCCC=C1c2ccccc2Sc2ccc(Cl
)cc21 - Molecular Weight1
- 329.84
- 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° | 411.03 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | 169.54 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 43.33 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 86.42 | kJ/mol | Joback Calculated Property |
| log10WS | -6.00 | Crippen Calculated Property | |
| logPoct/wat | 4.763 | Crippen Calculated Property | |
| McVol | 241.940 | ml/mol | McGowan Calculated Property |
| Pc | 2206.22 | kPa | Joback Calculated Property |
| Inp | 3490.00 | NIST | |
| Tboil | 882.62 | K | Joback Calculated Property |
| Tc | 1133.11 | K | Joback Calculated Property |
| Tfus | 635.04 | K | Joback Calculated Property |
| Vc | 0.912 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [665.35; 735.15] | J/mol×K | [882.62; 1133.11] | 
|
| Cp,gas | 665.35 | J/mol×K | 882.62 | Joback Calculated Property |
| Cp,gas | 678.09 | J/mol×K | 924.37 | Joback Calculated Property |
| Cp,gas | 690.18 | J/mol×K | 966.12 | Joback Calculated Property |
| Cp,gas | 701.78 | J/mol×K | 1007.86 | Joback Calculated Property |
| Cp,gas | 713.03 | J/mol×K | 1049.61 | Joback Calculated Property |
| Cp,gas | 724.10 | J/mol×K | 1091.36 | Joback Calculated Property |
| Cp,gas | 735.15 | J/mol×K | 1133.11 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Clopenthixol M (desalkyl-), monoacetylated.
Sources
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