- InChI
- InChI=1S/C11H12Cl3NOS/c1-3-15(4-2)11(17)16-10-6-8(13)7(12)5-9(10)14/h5-6H,3-4H2,1-2H3
- InChI Key
- QQBXAKQJAJFIJG-UHFFFAOYSA-N
- Formula
- C11H12Cl3NOS
- SMILES
-
CCN(CC)C(=S)Oc1cc(Cl)c(Cl)cc1C
l - Molecular Weight1
- 312.64
- CAS
- 22764-81-4
- 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).
- 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° | 212.31 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -33.66 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 38.52 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 68.68 | kJ/mol | Joback Calculated Property |
| log10WS | -5.24 | Crippen Calculated Property | |
| logPoct/wat | 4.652 | Crippen Calculated Property | |
| McVol | 206.710 | ml/mol | McGowan Calculated Property |
| Pc | 2436.25 | kPa | Joback Calculated Property |
| Tboil | 709.89 | K | Joback Calculated Property |
| Tc | 943.70 | K | Joback Calculated Property |
| Tfus | 456.44 | K | Joback Calculated Property |
| Vc | 0.762 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [468.05; 524.77] | J/mol×K | [709.89; 943.70] | 
|
| Cp,gas | 468.05 | J/mol×K | 709.89 | Joback Calculated Property |
| Cp,gas | 479.26 | J/mol×K | 748.86 | Joback Calculated Property |
| Cp,gas | 489.67 | J/mol×K | 787.83 | Joback Calculated Property |
| Cp,gas | 499.36 | J/mol×K | 826.80 | Joback Calculated Property |
| Cp,gas | 508.40 | J/mol×K | 865.76 | Joback Calculated Property |
| Cp,gas | 516.84 | J/mol×K | 904.73 | Joback Calculated Property |
| Cp,gas | 524.77 | J/mol×K | 943.70 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 2,4,5-Trichlorophenyl diethylthionocarbamate.
Sources
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