- InChI
- InChI=1S/C18H18ClNS/c1-20(2)11-5-7-14-15-6-3-4-8-17(15)21-18-10-9-13(19)12-16(14)18/h3-4,6-10,12H,5,11H2,1-2H3/b14-7+
- InChI Key
- WSPOMRSOLSGNFJ-VGOFMYFVSA-N
- Formula
- C18H18ClS
- SMILES
-
CN(C)CCC=C1c2ccccc2Sc2ccc(Cl)c
c21 - Molecular Weight1
- 301.85
- CAS
- 113-59-7
- Other Names
-
- (Z)-2-Chloro-N,N-dimethylthioxanthene-«DELTA»9,«gamma»-propylamine
- (Z)-2-Chloro-N,N-dimethylthioxanthene-«DELTA»9,«gamma»-propylamine
- 1-Propanamine, 3-(2-chloro-9H-thioxanthen-9-ylidene)-N,N-dimethyl-, (Z)-
- 2-Chloro-9-(3-(dimethylamino)propylidene)thioxanthene, (Z)-
- 2-Chloro-N,N-dimethylthioxanthene-«DELTA»9,«gamma»-propylamine
- 2-Chloro-N,N-dimethylthioxanthene-«DELTA»9,«gamma»-propylamine
- 9H-Thioxanthene, 1-propanamine deriv.
- CPT
- CPX
- Chloroprothixene
- Chlorprothixen
- Chlorprothixine
- Chlorprotixen
- Chlorprotixene
- Chlothixen
- Iaractan
- MK 184
- N 714
- N 714C
- Paxyl
- Rentovet
- Ro 4-0403
- Ro-4-04033
- Tactaran
- Taractan
- Tarasan
- Tardan
- Thioxanthene-«DELTA»9, «gamma»-propylamine, 2-chloro-N,N-dimethyl-
- Thioxanthene-«DELTA»9,«gamma»-propylamine, 2-chloro-N,N-dimethyl-, (Z)-
- Thioxanthene-«DELTA»9, «gamma»-propylamine, 2-chloro-N,N-dimethyl-
- Thioxanthene-«DELTA»9,«gamma»-propylamine, 2-chloro-N,N-dimethyl-, (Z)-
- Traquilan
- Trictal
- Truxal
- Truxaletten
- Truxil
- Vetacalm
- cis-2-Chloro-9-(3-dimethylaminopropylidene)thioxanthene
- cis-Chlorprothixene
- «alpha»-Chlorprothixene
- «alpha»-Chlorprothixene
- 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).
- ΔfusH : Enthalpy of fusion at a given temperature (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.
- ΔfusS : Entropy of fusion at a given temperature (J/mol×K).
- 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° | 561.34 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | 296.18 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 39.65 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 75.28 | kJ/mol | Joback Calculated Property |
| IE | 7.68 ± 0.03 | eV | NIST |
| log10WS | -6.74 | Aq. Sol... | |
| logPoct/wat | 5.188 | Crippen Calculated Property | |
| McVol | 240.370 | ml/mol | McGowan Calculated Property |
| Pc | 2053.03 | kPa | Joback Calculated Property |
| Inp | [2450.00; 2510.00] |
|
|
| Inp | 2481.00 | NIST | |
| Inp | 2452.00 | NIST | |
| Inp | 2460.00 | NIST | |
| Inp | 2501.00 | NIST | |
| Inp | 2487.00 | NIST | |
| Inp | 2510.00 | NIST | |
| Inp | 2450.00 | NIST | |
| Inp | 2487.00 | NIST | |
| Inp | 2510.00 | NIST | |
| Inp | 2452.00 | NIST | |
| Inp | 2487.00 | NIST | |
| Inp | 2481.00 | NIST | |
| Inp | 2501.00 | NIST | |
| Tboil | 791.02 | K | Joback Calculated Property |
| Tc | 1036.18 | K | Joback Calculated Property |
| Tfus | [370.30; 602.55] | K |
|
| Tfus | 602.55 | K | Aq. Sol... |
| Tfus | 370.30 ± 0.20 | K | NIST |
| Vc | 0.889 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [643.46; 722.25] | J/mol×K | [791.02; 1036.18] |
|
| Cp,gas | 643.46 | J/mol×K | 791.02 | Joback Calculated Property |
| Cp,gas | 658.38 | J/mol×K | 831.88 | Joback Calculated Property |
| Cp,gas | 672.37 | J/mol×K | 872.74 | Joback Calculated Property |
| Cp,gas | 685.59 | J/mol×K | 913.60 | Joback Calculated Property |
| Cp,gas | 698.20 | J/mol×K | 954.46 | Joback Calculated Property |
| Cp,gas | 710.37 | J/mol×K | 995.32 | Joback Calculated Property |
| Cp,gas | 722.25 | J/mol×K | 1036.18 | Joback Calculated Property |
| ΔfusH | [27.82; 28.90] | kJ/mol | [370.30; 370.50] |
|
| ΔfusH | 27.82 | kJ/mol | 370.30 | NIST |
| ΔfusH | 27.82 | kJ/mol | 370.30 | NIST |
| ΔfusH | 28.90 | kJ/mol | 370.50 | NIST |
| ΔfusS | 75.10 | J/mol×K | 370.30 | NIST |
Similar Compounds
Find more compounds similar to Chlorprothixene.
Sources
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