- InChI
- InChI=1S/C19H18ClNOS/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/h3-4,6-10,12H,5,11H2,1-2H3/b15-7+
- InChI Key
- SNMDHCOJSZRJJM-VIZOYTHASA-N
- Formula
- C19H18ClNOS
- SMILES
-
CC(=O)N(C)CCC=C1c2ccccc2Sc2ccc
(Cl)cc21 - Molecular Weight1
- 343.87
- 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° | 440.84 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | 162.96 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 43.84 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 84.25 | kJ/mol | Joback Calculated Property |
| log10WS | -5.80 | Crippen Calculated Property | |
| logPoct/wat | 5.105 | Crippen Calculated Property | |
| McVol | 256.030 | ml/mol | McGowan Calculated Property |
| Pc | 1992.98 | kPa | Joback Calculated Property |
| Inp | [2945.00; 2945.00] |
|
|
| Inp | 2945.00 | NIST | |
| Inp | 2945.00 | NIST | |
| Tboil | 867.77 | K | Joback Calculated Property |
| Tc | 1113.21 | K | Joback Calculated Property |
| Tfus | 626.12 | K | Joback Calculated Property |
| Vc | 0.952 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [710.29; 785.17] | J/mol×K | [867.77; 1113.21] |
|
| Cp,gas | 710.29 | J/mol×K | 867.77 | Joback Calculated Property |
| Cp,gas | 724.03 | J/mol×K | 908.68 | Joback Calculated Property |
| Cp,gas | 737.06 | J/mol×K | 949.58 | Joback Calculated Property |
| Cp,gas | 749.52 | J/mol×K | 990.49 | Joback Calculated Property |
| Cp,gas | 761.58 | J/mol×K | 1031.40 | Joback Calculated Property |
| Cp,gas | 773.41 | J/mol×K | 1072.31 | Joback Calculated Property |
| Cp,gas | 785.17 | J/mol×K | 1113.21 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Chlorprothixene M (nor-), monoacetylated.
Sources
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