- InChI
- InChI=1S/C9H11ClN2S/c1-12(2)9(13)11-8-5-3-4-7(10)6-8/h3-6H,1-2H3,(H,11,13)
- InChI Key
- FDNJCPRUAFJRTH-UHFFFAOYSA-N
- Formula
- C9H11ClN2S
- SMILES
- CN(C)C(=S)Nc1cccc(Cl)c1
- Molecular Weight1
- 214.72
- CAS
- 6943-20-0
- 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° | 432.98 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | 247.73 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 29.64 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 58.16 | kJ/mol | Joback Calculated Property |
| log10WS | -2.92 | Crippen Calculated Property | |
| logPoct/wat | 2.598 | Crippen Calculated Property | |
| McVol | 158.160 | ml/mol | McGowan Calculated Property |
| Pc | 3460.21 | kPa | Joback Calculated Property |
| Tboil | 607.06 | K | Joback Calculated Property |
| Tc | 844.06 | K | Joback Calculated Property |
| Tfus | 379.45 | K | Joback Calculated Property |
| Vc | 0.570 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [351.51; 411.86] | J/mol×K | [607.06; 844.06] | 
|
| Cp,gas | 351.51 | J/mol×K | 607.06 | Joback Calculated Property |
| Cp,gas | 363.73 | J/mol×K | 646.56 | Joback Calculated Property |
| Cp,gas | 374.96 | J/mol×K | 686.06 | Joback Calculated Property |
| Cp,gas | 385.29 | J/mol×K | 725.56 | Joback Calculated Property |
| Cp,gas | 394.82 | J/mol×K | 765.06 | Joback Calculated Property |
| Cp,gas | 403.64 | J/mol×K | 804.56 | Joback Calculated Property |
| Cp,gas | 411.86 | J/mol×K | 844.06 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 1-(M-chlorophenyl)-3,3-dimethyl-2-thiourea.
Sources
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