- InChI
- InChI=1S/C7H7ClN2S/c8-5-3-1-2-4-6(5)10-7(9)11/h1-4H,(H3,9,10,11)
- InChI Key
- YZUKKTCDYSIWKJ-UHFFFAOYSA-N
- Formula
- C7H7ClN2S
- SMILES
- NC(=S)Nc1ccccc1Cl
- Molecular Weight1
- 186.66
- CAS
- 5344-82-1
- Other Names
-
- Urea, 1-(o-chlorophenyl)-2-thio-
- (o-Chlorophenyl)thiourea
- N-(2-Chlorophenyl)thiourea
- 1-(o-Chlorophenyl)thiourea
- 1-(2-Chlorophenyl)-2-thiourea
- 1-(2-Chlorophenyl)thiourea
- 2-Chlorophenylthiourea
- Rcra waste number P026
- NSC 1165
- Thiourea, N-(2-chlorophenyl)-
- ω : Acentric Factor.
- 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).
- 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 |
|---|---|---|---|
| ω | 0.5650 | Relay (1.0) Calculated Property | |
| ΔfG° | 371.81 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | 64.80 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 26.63 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 85.66 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.05 | eV | NIST |
| log10WS | -3.45 | Relay (1.0) Calculated Property | |
| logPoct/wat | 1.996 | Crippen Calculated Property | |
| McVol | 129.980 | ml/mol | McGowan Calculated Property |
| Pc | 4762.81 | kPa | Joback Calculated Property |
| Tboil | 559.43 | K | Relay (1.0) Calculated Property |
| Tc | 884.77 | K | Relay (1.0) Calculated Property |
| Tfus | 416.44 ± 0.20 | K | NIST |
| Vc | 0.430 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [275.13; 319.77] | J/mol×K | [621.39; 880.43] | 
|
| Cp,gas | 275.13 | J/mol×K | 621.39 | Joback Calculated Property |
| Cp,gas | 284.35 | J/mol×K | 664.56 | Joback Calculated Property |
| Cp,gas | 292.72 | J/mol×K | 707.74 | Joback Calculated Property |
| Cp,gas | 300.35 | J/mol×K | 750.91 | Joback Calculated Property |
| Cp,gas | 307.33 | J/mol×K | 794.08 | Joback Calculated Property |
| Cp,gas | 313.77 | J/mol×K | 837.25 | Joback Calculated Property |
| Cp,gas | 319.77 | J/mol×K | 880.43 | Joback Calculated Property |
| ΔfusH | [22.29; 22.29] | kJ/mol | [413.50; 413.50] |
|
| ΔfusH | 22.29 | kJ/mol | 413.50 | NIST |
| ΔfusH | 22.29 | kJ/mol | 413.50 | NIST |
Similar Compounds
Find more compounds similar to Thiourea, (2-chlorophenyl)-.
Sources
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