- InChI
- InChI=1S/C10H10Cl3NO2/c1-5(2)16-10(15)14-9-4-7(12)6(11)3-8(9)13/h3-5H,1-2H3,(H,14,15)
- InChI Key
- KBPISZYZLAIVBF-UHFFFAOYSA-N
- Formula
- C10H10Cl3NO2
- SMILES
- CC(C)OC(=O)Nc1cc(Cl)c(Cl)cc1Cl
- Molecular Weight1
- 282.55
- CAS
- 52819-37-1
- 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° | -65.92 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -291.44 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 31.48 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 70.47 | kJ/mol | Joback Calculated Property |
| log10WS | -4.74 | Crippen Calculated Property | |
| logPoct/wat | 4.604 | Crippen Calculated Property | |
| McVol | 182.140 | ml/mol | McGowan Calculated Property |
| Pc | 2668.02 | kPa | Joback Calculated Property |
| Tboil | 708.13 | K | Joback Calculated Property |
| Tc | 937.85 | K | Joback Calculated Property |
| Tfus | 466.02 | K | Joback Calculated Property |
| Vc | 0.688 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [416.61; 467.98] | J/mol×K | [708.13; 937.85] | 
|
| Cp,gas | 416.61 | J/mol×K | 708.13 | Joback Calculated Property |
| Cp,gas | 427.06 | J/mol×K | 746.42 | Joback Calculated Property |
| Cp,gas | 436.74 | J/mol×K | 784.70 | Joback Calculated Property |
| Cp,gas | 445.66 | J/mol×K | 822.99 | Joback Calculated Property |
| Cp,gas | 453.83 | J/mol×K | 861.28 | Joback Calculated Property |
| Cp,gas | 461.27 | J/mol×K | 899.57 | Joback Calculated Property |
| Cp,gas | 467.98 | J/mol×K | 937.85 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Isopropyl-2,4,5-trichloro carbanilate.
Sources
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