- InChI
- InChI=1S/C12H15Cl2NO/c1-2-3-4-5-12(16)15-9-6-7-10(13)11(14)8-9/h6-8H,2-5H2,1H3,(H,15,16)
- InChI Key
- UHNACMYDEPKBKS-UHFFFAOYSA-N
- Formula
- C12H15Cl2NO
- SMILES
- CCCCCC(=O)Nc1ccc(Cl)c(Cl)c1
- Molecular Weight1
- 260.16
- 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).
- Inp : Non-polar retention indices.
- 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° | 79.92 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -168.01 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 35.19 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 67.86 | kJ/mol | Joback Calculated Property |
| log10WS | -4.72 | Crippen Calculated Property | |
| logPoct/wat | 4.512 | Crippen Calculated Property | |
| McVol | 192.210 | ml/mol | McGowan Calculated Property |
| Pc | 2340.56 | kPa | Joback Calculated Property |
| Inp | [2127.00; 2127.00] |
|
|
| Inp | 2127.00 | NIST | |
| Inp | 2127.00 | NIST | |
| Tboil | 689.50 | K | Joback Calculated Property |
| Tc | 906.36 | K | Joback Calculated Property |
| Tfus | 438.89 | K | Joback Calculated Property |
| Vc | 0.739 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [471.24; 536.06] | J/mol×K | [689.50; 906.36] |
|
| Cp,gas | 471.24 | J/mol×K | 689.50 | Joback Calculated Property |
| Cp,gas | 484.02 | J/mol×K | 725.64 | Joback Calculated Property |
| Cp,gas | 495.96 | J/mol×K | 761.79 | Joback Calculated Property |
| Cp,gas | 507.10 | J/mol×K | 797.93 | Joback Calculated Property |
| Cp,gas | 517.47 | J/mol×K | 834.08 | Joback Calculated Property |
| Cp,gas | 527.12 | J/mol×K | 870.22 | Joback Calculated Property |
| Cp,gas | 536.06 | J/mol×K | 906.36 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 3',4'-Dichlorocaproanilide.
Sources
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