- InChI
- InChI=1S/C8H8ClN3O2/c9-5-2-1-3-6(4-5)11-8(14)12-7(10)13/h1-4H,(H4,10,11,12,13,14)
- InChI Key
- BDGYTVITCGVFQP-UHFFFAOYSA-N
- Formula
- C8H8ClN3O2
- SMILES
- NC(=O)NC(=O)Nc1cccc(Cl)c1
- Molecular Weight1
- 213.62
- CAS
- 116346-10-2
- 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° | 94.72 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -83.56 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 32.92 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 77.73 | kJ/mol | Joback Calculated Property |
| log10WS | -2.71 | Crippen Calculated Property | |
| logPoct/wat | 1.540 | Crippen Calculated Property | |
| McVol | 145.140 | ml/mol | McGowan Calculated Property |
| Pc | 4456.32 | kPa | Joback Calculated Property |
| Tboil | 732.14 | K | Joback Calculated Property |
| Tc | 971.45 | K | Joback Calculated Property |
| Tfus | 537.22 | K | Joback Calculated Property |
| Vc | 0.535 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [361.08; 403.13] | J/mol×K | [732.14; 971.45] | 
|
| Cp,gas | 361.08 | J/mol×K | 732.14 | Joback Calculated Property |
| Cp,gas | 369.94 | J/mol×K | 772.03 | Joback Calculated Property |
| Cp,gas | 378.01 | J/mol×K | 811.91 | Joback Calculated Property |
| Cp,gas | 385.32 | J/mol×K | 851.80 | Joback Calculated Property |
| Cp,gas | 391.91 | J/mol×K | 891.68 | Joback Calculated Property |
| Cp,gas | 397.84 | J/mol×K | 931.57 | Joback Calculated Property |
| Cp,gas | 403.13 | J/mol×K | 971.45 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 1-(M-chlorophenyl)biuret.
Sources
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