- InChI
- InChI=1S/C13H18ClNO/c1-2-3-4-5-9-15-13(16)11-7-6-8-12(14)10-11/h6-8,10H,2-5,9H2,1H3,(H,15,16)
- InChI Key
- MIWJVAHFQPNBEW-UHFFFAOYSA-N
- Formula
- C13H18ClNO
- SMILES
- CCCCCCNC(=O)c1cccc(Cl)c1
- Molecular Weight1
- 239.74
- 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° | 109.90 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -161.44 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 33.97 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 65.04 | kJ/mol | Joback Calculated Property |
| log10WS | -4.59 | Crippen Calculated Property | |
| logPoct/wat | 3.650 | Crippen Calculated Property | |
| McVol | 194.060 | ml/mol | McGowan Calculated Property |
| Pc | 2244.00 | kPa | Joback Calculated Property |
| Inp | [2055.00; 2055.00] |
|
|
| Inp | 2055.00 | NIST | |
| Inp | 2055.00 | NIST | |
| Tboil | 669.97 | K | Joback Calculated Property |
| Tc | 879.44 | K | Joback Calculated Property |
| Tfus | 407.72 | K | Joback Calculated Property |
| Vc | 0.746 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [497.84; 572.02] | J/mol×K | [669.97; 879.44] |
|
| Cp,gas | 497.84 | J/mol×K | 669.97 | Joback Calculated Property |
| Cp,gas | 512.33 | J/mol×K | 704.88 | Joback Calculated Property |
| Cp,gas | 525.92 | J/mol×K | 739.79 | Joback Calculated Property |
| Cp,gas | 538.64 | J/mol×K | 774.70 | Joback Calculated Property |
| Cp,gas | 550.54 | J/mol×K | 809.62 | Joback Calculated Property |
| Cp,gas | 561.65 | J/mol×K | 844.53 | Joback Calculated Property |
| Cp,gas | 572.02 | J/mol×K | 879.44 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Benzamide, 3-chloro-N-hexyl-.
Sources
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