- InChI
- InChI=1S/C13H15Cl2NO/c14-11-7-6-10(8-12(11)15)16-13(17)9-4-2-1-3-5-9/h6-9H,1-5H2,(H,16,17)
- InChI Key
- QNLPPYRKEBGGHV-UHFFFAOYSA-N
- Formula
- C13H15Cl2NO
- SMILES
- O=C(Nc1ccc(Cl)c(Cl)c1)C1CCCCC1
- Molecular Weight1
- 272.17
- CAS
- 15907-85-4
- 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° | 112.79 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -134.33 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 29.62 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 70.51 | kJ/mol | Joback Calculated Property |
| log10WS | -4.79 | Crippen Calculated Property | |
| logPoct/wat | 4.512 | Crippen Calculated Property | |
| McVol | 195.440 | ml/mol | McGowan Calculated Property |
| Pc | 2608.40 | kPa | Joback Calculated Property |
| Tboil | 731.93 | K | Joback Calculated Property |
| Tc | 979.89 | K | Joback Calculated Property |
| Tfus | 457.54 | K | Joback Calculated Property |
| Vc | 0.728 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [514.43; 588.69] | J/mol×K | [731.93; 979.89] | 
|
| Cp,gas | 514.43 | J/mol×K | 731.93 | Joback Calculated Property |
| Cp,gas | 529.91 | J/mol×K | 773.26 | Joback Calculated Property |
| Cp,gas | 544.07 | J/mol×K | 814.58 | Joback Calculated Property |
| Cp,gas | 556.96 | J/mol×K | 855.91 | Joback Calculated Property |
| Cp,gas | 568.65 | J/mol×K | 897.24 | Joback Calculated Property |
| Cp,gas | 579.21 | J/mol×K | 938.56 | Joback Calculated Property |
| Cp,gas | 588.69 | J/mol×K | 979.89 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 3',4'-Dichlorocyclohexanecarboxanilide.
Sources
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