- InChI
- InChI=1S/C13H16ClNO/c14-11-7-4-8-12(9-11)15-13(16)10-5-2-1-3-6-10/h4,7-10H,1-3,5-6H2,(H,15,16)
- InChI Key
- WGUWTOYIQWKLDD-UHFFFAOYSA-N
- Formula
- C13H16ClNO
- SMILES
- O=C(Nc1cccc(Cl)c1)C1CCCCC1
- Molecular Weight1
- 237.72
- 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° | 134.35 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -107.12 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 25.81 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 65.47 | kJ/mol | Joback Calculated Property |
| log10WS | -4.11 | Crippen Calculated Property | |
| logPoct/wat | 3.859 | Crippen Calculated Property | |
| McVol | 183.200 | ml/mol | McGowan Calculated Property |
| Pc | 2752.67 | kPa | Joback Calculated Property |
| Inp | 2070.00 | NIST | |
| Tboil | 689.52 | K | Joback Calculated Property |
| Tc | 934.43 | K | Joback Calculated Property |
| Tfus | 415.10 | K | Joback Calculated Property |
| Vc | 0.678 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [489.28; 572.51] | J/mol×K | [689.52; 934.43] | 
|
| Cp,gas | 489.28 | J/mol×K | 689.52 | Joback Calculated Property |
| Cp,gas | 506.42 | J/mol×K | 730.34 | Joback Calculated Property |
| Cp,gas | 522.16 | J/mol×K | 771.16 | Joback Calculated Property |
| Cp,gas | 536.57 | J/mol×K | 811.98 | Joback Calculated Property |
| Cp,gas | 549.73 | J/mol×K | 852.80 | Joback Calculated Property |
| Cp,gas | 561.68 | J/mol×K | 893.61 | Joback Calculated Property |
| Cp,gas | 572.51 | J/mol×K | 934.43 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Cyclohexanecarboxamide, N-(3-chlorophenyl)-.
Sources
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