- InChI
- InChI=1S/C11H13Cl2NOS/c1-3-14(4-2)11(16)15-10-6-5-8(12)7-9(10)13/h5-7H,3-4H2,1-2H3
- InChI Key
- FWXFIMVQNOYOTD-UHFFFAOYSA-N
- Formula
- C11H13Cl2NOS
- SMILES
- CCN(CC)C(=S)Oc1ccc(Cl)cc1Cl
- Molecular Weight1
- 278.20
- CAS
- 116401-19-5
- 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° | 233.87 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -6.45 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 34.71 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 63.63 | kJ/mol | Joback Calculated Property |
| log10WS | -4.55 | Crippen Calculated Property | |
| logPoct/wat | 3.999 | Crippen Calculated Property | |
| McVol | 194.470 | ml/mol | McGowan Calculated Property |
| Pc | 2566.29 | kPa | Joback Calculated Property |
| Tboil | 667.48 | K | Joback Calculated Property |
| Tc | 897.72 | K | Joback Calculated Property |
| Tfus | 414.00 | K | Joback Calculated Property |
| Vc | 0.714 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [446.82; 509.40] | J/mol×K | [667.48; 897.72] | 
|
| Cp,gas | 446.82 | J/mol×K | 667.48 | Joback Calculated Property |
| Cp,gas | 459.21 | J/mol×K | 705.85 | Joback Calculated Property |
| Cp,gas | 470.72 | J/mol×K | 744.23 | Joback Calculated Property |
| Cp,gas | 481.43 | J/mol×K | 782.60 | Joback Calculated Property |
| Cp,gas | 491.40 | J/mol×K | 820.97 | Joback Calculated Property |
| Cp,gas | 500.70 | J/mol×K | 859.35 | Joback Calculated Property |
| Cp,gas | 509.40 | J/mol×K | 897.72 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 2,4-Dichlorophenyl-diethylthionocarbamate.
Sources
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