- InChI
- InChI=1S/C16H24ClNO/c1-2-3-4-5-6-7-8-12-18-16(19)14-10-9-11-15(17)13-14/h9-11,13H,2-8,12H2,1H3,(H,18,19)
- InChI Key
- BTIGGUWEWZKVGX-UHFFFAOYSA-N
- Formula
- C16H24ClNO
- SMILES
- CCCCCCCCCNC(=O)c1cccc(Cl)c1
- Molecular Weight1
- 281.82
- 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° | 135.16 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -223.36 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 41.74 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 71.72 | kJ/mol | Joback Calculated Property |
| log10WS | -5.85 | Crippen Calculated Property | |
| logPoct/wat | 4.820 | Crippen Calculated Property | |
| McVol | 236.330 | ml/mol | McGowan Calculated Property |
| Pc | 1737.56 | kPa | Joback Calculated Property |
| Inp | [2375.00; 2375.00] |
|
|
| Inp | 2375.00 | NIST | |
| Inp | 2375.00 | NIST | |
| Tboil | 738.61 | K | Joback Calculated Property |
| Tc | 940.67 | K | Joback Calculated Property |
| Tfus | 441.53 | K | Joback Calculated Property |
| Vc | 0.913 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [658.60; 739.19] | J/mol×K | [738.61; 940.67] |
|
| Cp,gas | 658.60 | J/mol×K | 738.61 | Joback Calculated Property |
| Cp,gas | 674.27 | J/mol×K | 772.29 | Joback Calculated Property |
| Cp,gas | 688.99 | J/mol×K | 805.96 | Joback Calculated Property |
| Cp,gas | 702.79 | J/mol×K | 839.64 | Joback Calculated Property |
| Cp,gas | 715.73 | J/mol×K | 873.32 | Joback Calculated Property |
| Cp,gas | 727.85 | J/mol×K | 907.00 | Joback Calculated Property |
| Cp,gas | 739.19 | J/mol×K | 940.67 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Benzamide, 3-chloro-N-nonyl-.
Sources
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