- InChI
- InChI=1S/C16H25NO/c1-4-5-6-14-7-9-15(10-8-14)16(18)17-12-11-13(2)3/h7-10,13H,4-6,11-12H2,1-3H3,(H,17,18)
- InChI Key
- HUYRCYTUDIKIJF-UHFFFAOYSA-N
- Formula
- C16H25NO
- SMILES
- CCCCc1ccc(C(=O)NCCC(C)C)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° | 144.65 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -212.90 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 34.02 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 66.94 | kJ/mol | Joback Calculated Property |
| log10WS | -4.89 | Crippen Calculated Property | |
| logPoct/wat | 3.805 | Crippen Calculated Property | |
| McVol | 224.090 | ml/mol | McGowan Calculated Property |
| Pc | 1804.63 | kPa | Joback Calculated Property |
| Inp | [2158.00; 2158.00] |
|
|
| Inp | 2158.00 | NIST | |
| Inp | 2158.00 | NIST | |
| Tboil | 700.74 | K | Joback Calculated Property |
| Tc | 902.26 | K | Joback Calculated Property |
| Tfus | 396.61 | K | Joback Calculated Property |
| Vc | 0.859 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [629.79; 717.87] | J/mol×K | [700.74; 902.26] |
|
| Cp,gas | 629.79 | J/mol×K | 700.74 | Joback Calculated Property |
| Cp,gas | 646.85 | J/mol×K | 734.33 | Joback Calculated Property |
| Cp,gas | 662.90 | J/mol×K | 767.91 | Joback Calculated Property |
| Cp,gas | 677.99 | J/mol×K | 801.50 | Joback Calculated Property |
| Cp,gas | 692.15 | J/mol×K | 835.09 | Joback Calculated Property |
| Cp,gas | 705.43 | J/mol×K | 868.68 | Joback Calculated Property |
| Cp,gas | 717.87 | J/mol×K | 902.26 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Benzamide, 4-butyl-N-(3-methylbutyl)-.
Sources
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