- InChI
- InChI=1S/C16H25NO/c1-3-5-7-13-17-16(18)15-11-9-14(10-12-15)8-6-4-2/h9-12H,3-8,13H2,1-2H3,(H,17,18)
- InChI Key
- IXBDFLAOISWAGJ-UHFFFAOYSA-N
- Formula
- C16H25NO
- SMILES
- CCCCCNC(=O)c1ccc(CCCC)cc1
- Molecular Weight1
- 247.38
- 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° | 147.09 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -207.62 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 37.55 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 67.33 | kJ/mol | Joback Calculated Property |
| log10WS | -5.13 | Crippen Calculated Property | |
| logPoct/wat | 3.949 | Crippen Calculated Property | |
| McVol | 224.090 | ml/mol | McGowan Calculated Property |
| Pc | 1792.42 | kPa | Joback Calculated Property |
| Inp | [2197.00; 2197.00] |
|
|
| Inp | 2197.00 | NIST | |
| Inp | 2197.00 | NIST | |
| Tboil | 701.18 | K | Joback Calculated Property |
| Tc | 899.50 | K | Joback Calculated Property |
| Tfus | 411.61 | K | Joback Calculated Property |
| Vc | 0.865 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [629.30; 716.19] | J/mol×K | [701.18; 899.50] |
|
| Cp,gas | 629.30 | J/mol×K | 701.18 | Joback Calculated Property |
| Cp,gas | 646.06 | J/mol×K | 734.23 | Joback Calculated Property |
| Cp,gas | 661.86 | J/mol×K | 767.29 | Joback Calculated Property |
| Cp,gas | 676.73 | J/mol×K | 800.34 | Joback Calculated Property |
| Cp,gas | 690.72 | J/mol×K | 833.40 | Joback Calculated Property |
| Cp,gas | 703.86 | J/mol×K | 866.45 | Joback Calculated Property |
| Cp,gas | 716.19 | J/mol×K | 899.50 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Benzamide, 4-butyl-N-pentyl-.
Sources
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