- InChI
- InChI=1S/C15H22ClNO/c1-2-3-4-5-6-9-12-17-15(18)13-10-7-8-11-14(13)16/h7-8,10-11H,2-6,9,12H2,1H3,(H,17,18)
- InChI Key
- WGRXJVIEUFBCJX-UHFFFAOYSA-N
- Formula
- C15H22ClNO
- SMILES
- CCCCCCCCNC(=O)c1ccccc1Cl
- Molecular Weight1
- 267.79
- 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° | 126.74 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -202.72 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 39.15 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 69.49 | kJ/mol | Joback Calculated Property |
| log10WS | -5.43 | Crippen Calculated Property | |
| logPoct/wat | 4.430 | Crippen Calculated Property | |
| McVol | 222.240 | ml/mol | McGowan Calculated Property |
| Pc | 1885.44 | kPa | Joback Calculated Property |
| Inp | [2201.00; 2201.00] |
|
|
| Inp | 2201.00 | NIST | |
| Inp | 2201.00 | NIST | |
| Tboil | 715.73 | K | Joback Calculated Property |
| Tc | 919.83 | K | Joback Calculated Property |
| Tfus | 430.26 | K | Joback Calculated Property |
| Vc | 0.858 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [603.81; 682.55] | J/mol×K | [715.73; 919.83] |
|
| Cp,gas | 603.81 | J/mol×K | 715.73 | Joback Calculated Property |
| Cp,gas | 619.14 | J/mol×K | 749.75 | Joback Calculated Property |
| Cp,gas | 633.53 | J/mol×K | 783.76 | Joback Calculated Property |
| Cp,gas | 647.02 | J/mol×K | 817.78 | Joback Calculated Property |
| Cp,gas | 659.66 | J/mol×K | 851.79 | Joback Calculated Property |
| Cp,gas | 671.49 | J/mol×K | 885.81 | Joback Calculated Property |
| Cp,gas | 682.55 | J/mol×K | 919.83 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Benzamide, 2-chloro-N-octyl-.
Sources
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