- InChI
- InChI=1S/C14H20ClNO/c1-2-3-4-5-8-11-16-14(17)12-9-6-7-10-13(12)15/h6-7,9-10H,2-5,8,11H2,1H3,(H,16,17)
- InChI Key
- RUDKLYCLLYYSKJ-UHFFFAOYSA-N
- Formula
- C14H20ClNO
- SMILES
- CCCCCCCNC(=O)c1ccccc1Cl
- Molecular Weight1
- 253.77
- 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° | 118.32 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -182.08 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 36.56 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 67.26 | kJ/mol | Joback Calculated Property |
| log10WS | -5.01 | Crippen Calculated Property | |
| logPoct/wat | 4.040 | Crippen Calculated Property | |
| McVol | 208.150 | ml/mol | McGowan Calculated Property |
| Pc | 2053.03 | kPa | Joback Calculated Property |
| Inp | [2094.00; 2094.00] |
|
|
| Inp | 2094.00 | NIST | |
| Inp | 2094.00 | NIST | |
| Tboil | 692.85 | K | Joback Calculated Property |
| Tc | 899.43 | K | Joback Calculated Property |
| Tfus | 418.99 | K | Joback Calculated Property |
| Vc | 0.801 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [550.20; 626.82] | J/mol×K | [692.85; 899.43] |
|
| Cp,gas | 550.20 | J/mol×K | 692.85 | Joback Calculated Property |
| Cp,gas | 565.14 | J/mol×K | 727.28 | Joback Calculated Property |
| Cp,gas | 579.16 | J/mol×K | 761.71 | Joback Calculated Property |
| Cp,gas | 592.29 | J/mol×K | 796.14 | Joback Calculated Property |
| Cp,gas | 604.59 | J/mol×K | 830.57 | Joback Calculated Property |
| Cp,gas | 616.08 | J/mol×K | 865.00 | Joback Calculated Property |
| Cp,gas | 626.82 | J/mol×K | 899.43 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Benzamide, 2-chloro-N-heptyl-.
Sources
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